CID 721011

292644-33-8

Structural Information

Molecular Formula
C14H13N3
SMILES
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)N
InChI
InChI=1S/C14H13N3/c1-9-6-7-10(8-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKey
NWYALKGHFGHBQP-UHFFFAOYSA-N
Compound name
5-(1H-benzimidazol-2-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

22
Patents

223.11095 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 149.3
[M+Na]+ 246.10017 164.7
[M+NH4]+ 241.14477 158.3
[M+K]+ 262.07411 158.6
[M-H]- 222.10367 153.9
[M+Na-2H]- 244.08562 158.4
[M]+ 223.11040 152.8
[M]- 223.11150 152.8
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