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]+ 224.11823 148.8
[M+Na]+ 246.10017 159.6
[M-H]- 222.10367 153.3
[M+NH4]+ 241.14477 166.6
[M+K]+ 262.07411 153.1
[M+H-H2O]+ 206.10821 141.0
[M+HCOO]- 268.10915 171.7
[M+CH3COO]- 282.12480 161.8
[M+Na-2H]- 244.08562 155.3
[M]+ 223.11040 147.8
[M]- 223.11150 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