CID 15954290

6-6 pbg

Structural Information

Molecular Formula
C24H50N14
SMILES
C(CCCN=C(N)NC(=NCCCCCCN=C(N)NC(=NCCCCCCN=C(C#N)N)N)N)CCN
InChI
InChI=1S/C24H50N14/c25-13-7-1-2-9-15-33-21(28)37-23(30)35-17-11-5-6-12-18-36-24(31)38-22(29)34-16-10-4-3-8-14-32-20(27)19-26/h1-18,25H2,(H2,27,32)(H5,28,30,33,35,37)(H5,29,31,34,36,38)
InChIKey
VIJCIMKXUFYIFS-UHFFFAOYSA-N
Compound name
N'-[6-[[amino-[[N'-[6-[[amino-[[N'-(6-aminohexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]amino]methylidene]amino]hexyl]-1-cyanomethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

534.43427 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.44155 235.5
[M+Na]+ 557.42349 260.6
[M-H]- 533.42699 254.1
[M+NH4]+ 552.46809 235.3
[M+K]+ 573.39743 246.4
[M+H-H2O]+ 517.43153 200.2
[M+HCOO]- 579.43247 224.2
[M+CH3COO]- 593.44812 289.0
[M+Na-2H]- 555.40894 283.6
[M]+ 534.43372 210.8
[M]- 534.43482 210.8
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.