CID 43148827

1-(2-methoxyphenyl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C14H13N3O
SMILES
COC1=CC=CC=C1N2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C14H13N3O/c1-18-13-9-5-4-8-12(13)17-11-7-3-2-6-10(11)16-14(17)15/h2-9H,1H3,(H2,15,16)
InChIKey
MERCHBBBCBRXPP-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.10587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 151.9
[M+Na]+ 262.09509 162.9
[M-H]- 238.09859 157.7
[M+NH4]+ 257.13969 169.6
[M+K]+ 278.06903 157.9
[M+H-H2O]+ 222.10313 143.4
[M+HCOO]- 284.10407 176.4
[M+CH3COO]- 298.11972 165.3
[M+Na-2H]- 260.08054 158.7
[M]+ 239.10532 154.0
[M]- 239.10642 154.0
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