PubChemLite - 7ahp-7ahp-l-lyscar (C25H52N6O5)

Structural Information

Molecular Formula

SMILES

C(CCCN)CCCNCC(=O)N(CCCCCCCN)CC(=O)N[C@@H](CCCCN)COC(=O)O

InChI

InChI=1S/C25H52N6O5/c26-14-8-3-1-5-11-17-29-19-24(33)31(18-12-6-2-4-9-15-27)20-23(32)30-22(13-7-10-16-28)21-36-25(34)35/h22,29H,1-21,26-28H2,(H,30,32)(H,34,35)/t22-/m0/s1

InChIKey

IFELQKJVNJHCQV-QFIPXVFZSA-N

Compound name

[(2S)-6-amino-2-[[2-[7-aminoheptyl-[2-(7-aminoheptylamino)acetyl]amino]acetyl]amino]hexyl] hydrogen carbonate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	517.40718	238.4
[M+Na]+	539.38912	252.3
[M-H]-	515.39262	243.9
[M+NH4]+	534.43372	237.4
[M+K]+	555.36306	243.5
[M+H-H2O]+	499.39716	234.4
[M+HCOO]-	561.39810	227.8
[M+CH3COO]-	575.41375	262.9
[M+Na-2H]-	537.37457	226.3
[M]+	516.39935	222.0
[M]-	516.40045	222.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.40718

238.4

[M+Na]+

539.38912

252.3

[M-H]-

515.39262

243.9

[M+NH4]+

534.43372

237.4

[M+K]+

555.36306

243.5

[M+H-H2O]+

499.39716

234.4

[M+HCOO]-

561.39810

227.8

[M+CH3COO]-

575.41375

262.9

[M+Na-2H]-

537.37457

226.3

[M]+

516.39935

222.0

[M]-

516.40045

222.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

7ahp-7ahp-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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