CID 43661864

5-methyl-1-(4-methylphenyl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C15H15N3
SMILES
CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C)N=C2N
InChI
InChI=1S/C15H15N3/c1-10-3-6-12(7-4-10)18-14-8-5-11(2)9-13(14)17-15(18)16/h3-9H,1-2H3,(H2,16,17)
InChIKey
XYYFOPBRFCZTSM-UHFFFAOYSA-N
Compound name
5-methyl-1-(4-methylphenyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.133876 153.9
[M+Na]+ 260.115818 165.6
[M-H]- 236.119324 159.9
[M+NH4]+ 255.160423 172.1
[M+K]+ 276.089758 159.7
[M+H-H2O]+ 220.123860 145.7
[M+HCOO]- 282.124801 177.8
[M+CH3COO]- 296.140451 167.4
[M+Na-2H]- 258.101266 159.4
[M]+ 237.12605142 155.4
[M]- 237.12714858 155.4
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.