CID 499325

Nsc670715

Structural Information

Molecular Formula
C18H23ClN6
SMILES
CC1=NCCCCCCN=C(C1N=NC2=NC3=C(N2)C=C(C=C3)Cl)C
InChI
InChI=1S/C18H23ClN6/c1-12-17(13(2)21-10-6-4-3-5-9-20-12)24-25-18-22-15-8-7-14(19)11-16(15)23-18/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,22,23)
InChIKey
GGRLDYPJFRYDJS-UHFFFAOYSA-N
Compound name
(6-chloro-1H-benzimidazol-2-yl)-(2,4-dimethyl-1,5-diazacycloundeca-1,4-dien-3-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.16727 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17455 182.2
[M+Na]+ 381.15649 190.7
[M-H]- 357.15999 183.7
[M+NH4]+ 376.20109 190.8
[M+K]+ 397.13043 184.7
[M+H-H2O]+ 341.16453 173.8
[M+HCOO]- 403.16547 197.0
[M+CH3COO]- 417.18112 190.8
[M+Na-2H]- 379.14194 185.1
[M]+ 358.16672 180.4
[M]- 358.16782 180.4
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.