CID 28780574

2803863-42-3

Structural Information

Molecular Formula
C14H19N3
SMILES
C1CCC(CC1)CC2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C14H19N3/c15-11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,15H2,(H,16,17)
InChIKey
HWBUOIIGNQYWEA-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.1579 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 152.0
[M+Na]+ 252.14712 158.6
[M-H]- 228.15062 154.7
[M+NH4]+ 247.19172 168.9
[M+K]+ 268.12106 152.8
[M+H-H2O]+ 212.15516 143.5
[M+HCOO]- 274.15610 170.4
[M+CH3COO]- 288.17175 162.8
[M+Na-2H]- 250.13257 156.0
[M]+ 229.15735 146.2
[M]- 229.15845 146.2
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

patents stripe