CID 15954282

2-12 pbg

Structural Information

Molecular Formula
C22H46N14
SMILES
C(CCCCCCN=C(N)NC(=NCCN=C(C#N)N)N)CCCCCN=C(N)NC(=NCCN)N
InChI
InChI=1S/C22H46N14/c23-11-14-33-21(28)35-19(26)31-12-9-7-5-3-1-2-4-6-8-10-13-32-20(27)36-22(29)34-16-15-30-18(25)17-24/h1-16,23H2,(H2,25,30)(H5,26,28,31,33,35)(H5,27,29,32,34,36)
InChIKey
FHJSZKNIIXNQDV-UHFFFAOYSA-N
Compound name
N'-[2-[[amino-[[N'-[12-[[amino-[[N'-(2-aminoethyl)carbamimidoyl]amino]methylidene]amino]dodecyl]carbamimidoyl]amino]methylidene]amino]ethyl]-1-cyanomethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.40298 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.41026 213.8
[M+Na]+ 529.39220 255.6
[M-H]- 505.39570 249.4
[M+NH4]+ 524.43680 230.1
[M+K]+ 545.36614 213.8
[M+H-H2O]+ 489.40024 194.6
[M+HCOO]- 551.40118 219.6
[M+CH3COO]- 565.41683 284.3
[M+Na-2H]- 527.37765 278.6
[M]+ 506.40243 205.7
[M]- 506.40353 205.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.