CID 392280

Nsc692416

Structural Information

Molecular Formula
C15H16N3
SMILES
CN1C2=CC=CC=C2[N+](=C1C3=CC(=CC=C3)N)C
InChI
InChI=1S/C15H16N3/c1-17-13-8-3-4-9-14(13)18(2)15(17)11-6-5-7-12(16)10-11/h3-10H,16H2,1-2H3/q+1
InChIKey
QULJNAASNOHQQJ-UHFFFAOYSA-N
Compound name
3-(1,3-dimethylbenzimidazol-3-ium-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13443 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14171 155.5
[M+Na]+ 261.12365 166.7
[M-H]- 237.12715 161.7
[M+NH4]+ 256.16825 173.3
[M+K]+ 277.09759 155.5
[M+H-H2O]+ 221.13169 149.9
[M+HCOO]- 283.13263 179.0
[M+CH3COO]- 297.14828 189.7
[M+Na-2H]- 259.10910 163.3
[M]+ 238.13388 155.7
[M]- 238.13498 155.7
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.