CID 499327

Nsc670718

Structural Information

Molecular Formula
C18H24N6
SMILES
CC1=NCCCCCCN=C(C1N=NC2=NC3=CC=CC=C3N2)C
InChI
InChI=1S/C18H24N6/c1-13-17(14(2)20-12-8-4-3-7-11-19-13)23-24-18-21-15-9-5-6-10-16(15)22-18/h5-6,9-10,17H,3-4,7-8,11-12H2,1-2H3,(H,21,22)
InChIKey
JTLGLFTZLMOCGW-UHFFFAOYSA-N
Compound name
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

324.20624 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21352 172.7
[M+Na]+ 347.19546 179.7
[M-H]- 323.19896 174.3
[M+NH4]+ 342.24006 181.6
[M+K]+ 363.16940 175.2
[M+H-H2O]+ 307.20350 164.2
[M+HCOO]- 369.20444 192.4
[M+CH3COO]- 383.22009 181.6
[M+Na-2H]- 345.18091 177.2
[M]+ 324.20569 168.6
[M]- 324.20679 168.6
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.