CID 3011126

3-(1-methyl-1h-benzo[d]imidazol-2-yl)aniline

Structural Information

Molecular Formula
C14H13N3
SMILES
CN1C2=CC=CC=C2N=C1C3=CC(=CC=C3)N
InChI
InChI=1S/C14H13N3/c1-17-13-8-3-2-7-12(13)16-14(17)10-5-4-6-11(15)9-10/h2-9H,15H2,1H3
InChIKey
BDXPAXFHBGAKEH-UHFFFAOYSA-N
Compound name
3-(1-methylbenzimidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

223.11095 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 148.7
[M+Na]+ 246.10017 159.9
[M-H]- 222.10367 154.5
[M+NH4]+ 241.14477 167.2
[M+K]+ 262.07411 154.3
[M+H-H2O]+ 206.10821 140.5
[M+HCOO]- 268.10915 173.0
[M+CH3COO]- 282.12480 162.3
[M+Na-2H]- 244.08562 155.5
[M]+ 223.11040 149.5
[M]- 223.11150 149.5
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