CID 15954280

2-10 pbg

Structural Information

Molecular Formula
C20H42N14
SMILES
C(CCCCCN=C(N)NC(=NCCN=C(C#N)N)N)CCCCN=C(N)NC(=NCCN)N
InChI
InChI=1S/C20H42N14/c21-9-12-31-19(26)33-17(24)29-10-7-5-3-1-2-4-6-8-11-30-18(25)34-20(27)32-14-13-28-16(23)15-22/h1-14,21H2,(H2,23,28)(H5,24,26,29,31,33)(H5,25,27,30,32,34)
InChIKey
PPENRCCXCRPNRO-UHFFFAOYSA-N
Compound name
N'-[2-[[amino-[[N'-[10-[[amino-[[N'-(2-aminoethyl)carbamimidoyl]amino]methylidene]amino]decyl]carbamimidoyl]amino]methylidene]amino]ethyl]-1-cyanomethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.37167 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.37895 208.0
[M+Na]+ 501.36089 203.4
[M-H]- 477.36439 209.3
[M+NH4]+ 496.40549 224.9
[M+K]+ 517.33483 208.9
[M+H-H2O]+ 461.36893 189.0
[M+HCOO]- 523.36987 215.0
[M+CH3COO]- 537.38552 279.7
[M+Na-2H]- 499.34634 203.2
[M]+ 478.37112 195.9
[M]- 478.37222 195.9
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.