PubChemLite - 74874-08-1 (C15H28N6O5)

Structural Information

Molecular Formula

SMILES

CCOC(=O)[C@H]1C[C@@H](CCN1C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N)C

InChI

InChI=1S/C15H28N6O5/c1-3-26-14(23)12-9-10(2)6-8-20(12)13(22)11(16)5-4-7-18-15(17)19-21(24)25/h10-12H,3-9,16H2,1-2H3,(H3,17,18,19)/t10-,11+,12-/m1/s1

InChIKey

FQJRPNXNFXYTHZ-GRYCIOLGSA-N

Compound name

ethyl (2R,4R)-1-[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-4-methylpiperidine-2-carboxylate

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]+	373.21941	183.5
[M+Na]+	395.20135	182.5
[M-H]-	371.20485	184.5
[M+NH4]+	390.24595	217.4
[M+K]+	411.17529	178.8
[M+H-H2O]+	355.20939	179.0
[M+HCOO]-	417.21033	203.2
[M+CH3COO]-	431.22598	222.2
[M+Na-2H]-	393.18680	182.5
[M]+	372.21158	177.3
[M]-	372.21268	177.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

373.21941

183.5

[M+Na]+

395.20135

182.5

[M-H]-

371.20485

184.5

[M+NH4]+

390.24595

217.4

[M+K]+

411.17529

178.8

[M+H-H2O]+

355.20939

179.0

[M+HCOO]-

417.21033

203.2

[M+CH3COO]-

431.22598

222.2

[M+Na-2H]-

393.18680

182.5

[M]+

372.21158

177.3

[M]-

372.21268

177.3

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

74874-08-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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