CID 3073291

148014-93-1

Structural Information

Molecular Formula
C15H22ClN5
SMILES
CC(C)N1C2=C(C=C(C(=C2)N)Cl)N=C1N3CCN(CC3)C
InChI
InChI=1S/C15H22ClN5/c1-10(2)21-14-9-12(17)11(16)8-13(14)18-15(21)20-6-4-19(3)5-7-20/h8-10H,4-7,17H2,1-3H3
InChIKey
QEANRFDFBNUCJR-UHFFFAOYSA-N
Compound name
6-chloro-2-(4-methylpiperazin-1-yl)-3-propan-2-ylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

45
Patents

307.15637 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16365 172.0
[M+Na]+ 330.14559 185.7
[M+NH4]+ 325.19019 179.5
[M+K]+ 346.11953 180.5
[M-H]- 306.14909 174.8
[M+Na-2H]- 328.13104 177.1
[M]+ 307.15582 174.9
[M]- 307.15692 174.9
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

patents stripe