CID 42600437

5-chloro-1-cyclopentyl-1h-benzo[d]imidazol-2-amine

Structural Information

Molecular Formula
C12H14ClN3
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)Cl)N=C2N
InChI
InChI=1S/C12H14ClN3/c13-8-5-6-11-10(7-8)15-12(14)16(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,14,15)
InChIKey
DWUMGQXTTGTUKF-UHFFFAOYSA-N
Compound name
5-chloro-1-cyclopentylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.08763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09491 152.3
[M+Na]+ 258.07685 162.7
[M-H]- 234.08035 157.4
[M+NH4]+ 253.12145 172.7
[M+K]+ 274.05079 156.8
[M+H-H2O]+ 218.08489 144.9
[M+HCOO]- 280.08583 170.4
[M+CH3COO]- 294.10148 165.1
[M+Na-2H]- 256.06230 154.5
[M]+ 235.08708 152.2
[M]- 235.08818 152.2
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.