CID 50989704

5-chloro-1-(3-phenylpropyl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C16H16ClN3
SMILES
C1=CC=C(C=C1)CCCN2C3=C(C=C(C=C3)Cl)N=C2N
InChI
InChI=1S/C16H16ClN3/c17-13-8-9-15-14(11-13)19-16(18)20(15)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H2,18,19)
InChIKey
CZRAMJQALFPNAX-UHFFFAOYSA-N
Compound name
5-chloro-1-(3-phenylpropyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.10327 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11055 165.5
[M+Na]+ 308.09249 176.4
[M-H]- 284.09599 170.4
[M+NH4]+ 303.13709 182.1
[M+K]+ 324.06643 168.7
[M+H-H2O]+ 268.10053 156.9
[M+HCOO]- 330.10147 184.3
[M+CH3COO]- 344.11712 177.6
[M+Na-2H]- 306.07794 170.5
[M]+ 285.10272 168.9
[M]- 285.10382 168.9
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.