CID 3054311

71080-08-5

Structural Information

Molecular Formula
C24H26N6
SMILES
CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NC5=CC=CC=C5N4
InChI
InChI=1S/C24H26N6/c1-16-15-22(18-11-5-6-12-19(18)25-16)29-23(26-17-9-3-2-4-10-17)30-24-27-20-13-7-8-14-21(20)28-24/h5-8,11-15,17H,2-4,9-10H2,1H3,(H3,25,26,27,28,29,30)
InChIKey
VAXJLGMBENEDDX-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-2-cyclohexyl-3-(2-methylquinolin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.2219 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22918 190.0
[M+Na]+ 421.21112 194.3
[M-H]- 397.21462 196.8
[M+NH4]+ 416.25572 199.1
[M+K]+ 437.18506 186.2
[M+H-H2O]+ 381.21916 177.8
[M+HCOO]- 443.22010 207.9
[M+CH3COO]- 457.23575 197.4
[M+Na-2H]- 419.19657 195.8
[M]+ 398.22135 184.8
[M]- 398.22245 184.8
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.