CID 5328453

4-(1h-1,3-benzodiazol-1-yl)aniline

Structural Information

Molecular Formula
C13H11N3
SMILES
C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)N
InChI
InChI=1S/C13H11N3/c14-10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16/h1-9H,14H2
InChIKey
DWYMPMWWYZEKLQ-UHFFFAOYSA-N
Compound name
4-(benzimidazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

209.09529 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10257 143.5
[M+Na]+ 232.08451 154.1
[M-H]- 208.08801 149.0
[M+NH4]+ 227.12911 162.1
[M+K]+ 248.05845 148.8
[M+H-H2O]+ 192.09255 135.2
[M+HCOO]- 254.09349 168.1
[M+CH3COO]- 268.10914 157.1
[M+Na-2H]- 230.06996 151.6
[M]+ 209.09474 143.5
[M]- 209.09584 143.5
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