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]+ 238.13388 153.9
[M+Na]+ 260.11582 165.6
[M-H]- 236.11932 159.9
[M+NH4]+ 255.16042 172.1
[M+K]+ 276.08976 159.7
[M+H-H2O]+ 220.12386 145.7
[M+HCOO]- 282.12480 177.8
[M+CH3COO]- 296.14045 167.4
[M+Na-2H]- 258.10127 159.4
[M]+ 237.12605 155.4
[M]- 237.12715 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.