CID 14030740

Chembl573698

Structural Information

Molecular Formula
C19H43N9
SMILES
C(CCCCN(CCCCCCCCN=C(N)N)C(=N)N)CCCN=C(N)N
InChI
InChI=1S/C19H43N9/c20-17(21)26-13-9-5-1-3-7-11-15-28(19(24)25)16-12-8-4-2-6-10-14-27-18(22)23/h1-16H2,(H3,24,25)(H4,20,21,26)(H4,22,23,27)
InChIKey
HHILOXKTRBXPNQ-UHFFFAOYSA-N
Compound name
1,1-bis[8-(diaminomethylideneamino)octyl]guanidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

0
Patents

397.36414 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.37142 196.8
[M+Na]+ 420.35336 192.9
[M-H]- 396.35686 196.8
[M+NH4]+ 415.39796 226.2
[M+K]+ 436.32730 193.0
[M+H-H2O]+ 380.36140 185.2
[M+HCOO]- 442.36234 223.0
[M+CH3COO]- 456.37799 255.6
[M+Na-2H]- 418.33881 192.1
[M]+ 397.36359 191.5
[M]- 397.36469 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.