CID 5116046

5-(1h-1,3-benzodiazol-2-yl)-2-methoxyaniline

Structural Information

Molecular Formula
C14H13N3O
SMILES
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)N
InChI
InChI=1S/C14H13N3O/c1-18-13-7-6-9(8-10(13)15)14-16-11-4-2-3-5-12(11)17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKey
LOAAJBOHHXFWPZ-UHFFFAOYSA-N
Compound name
5-(1H-benzimidazol-2-yl)-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

239.10587 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.113146 151.9
[M+Na]+ 262.095088 162.5
[M-H]- 238.098594 156.4
[M+NH4]+ 257.139693 168.9
[M+K]+ 278.069028 156.7
[M+H-H2O]+ 222.103130 143.8
[M+HCOO]- 284.104071 174.9
[M+CH3COO]- 298.119721 164.7
[M+Na-2H]- 260.080536 158.4
[M]+ 239.10532142 152.3
[M]- 239.10641858 152.3
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