CID 21814997

2-(1h-1,3-benzodiazol-2-yl)-4-methylaniline dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.11095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 148.8
[M+Na]+ 246.100168 159.6
[M-H]- 222.103674 153.3
[M+NH4]+ 241.144773 166.6
[M+K]+ 262.074108 153.1
[M+H-H2O]+ 206.108210 141.0
[M+HCOO]- 268.109151 171.7
[M+CH3COO]- 282.124801 161.8
[M+Na-2H]- 244.085616 155.3
[M]+ 223.11040142 147.8
[M]- 223.11149858 147.8
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

patents stripe