CID 16077390

1-cyclopentyl-2-(4-fluorophenyl)benzimidazol-5-amine

Structural Information

Molecular Formula
C18H18FN3
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)N)N=C2C4=CC=C(C=C4)F
InChI
InChI=1S/C18H18FN3/c19-13-7-5-12(6-8-13)18-21-16-11-14(20)9-10-17(16)22(18)15-3-1-2-4-15/h5-11,15H,1-4,20H2
InChIKey
QATOFZDBXBVCFC-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-(4-fluorophenyl)benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14847 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15575 166.8
[M+Na]+ 318.13769 176.1
[M-H]- 294.14119 174.1
[M+NH4]+ 313.18229 183.6
[M+K]+ 334.11163 169.3
[M+H-H2O]+ 278.14573 157.0
[M+HCOO]- 340.14667 187.9
[M+CH3COO]- 354.16232 178.4
[M+Na-2H]- 316.12314 167.4
[M]+ 295.14792 163.9
[M]- 295.14902 163.9
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.