CID 1086603

21444-77-9

Structural Information

Molecular Formula
C15H15N3O
SMILES
CN1C2=C(C=C(C=C2)N)N=C1C3=CC=C(C=C3)OC
InChI
InChI=1S/C15H15N3O/c1-18-14-8-5-11(16)9-13(14)17-15(18)10-3-6-12(19-2)7-4-10/h3-9H,16H2,1-2H3
InChIKey
XCGLIWJYPORQCU-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-methylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.1215 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.128776 157.2
[M+Na]+ 276.110718 168.6
[M-H]- 252.114224 163.2
[M+NH4]+ 271.155323 174.5
[M+K]+ 292.084658 163.4
[M+H-H2O]+ 236.118760 148.7
[M+HCOO]- 298.119701 181.2
[M+CH3COO]- 312.135351 170.4
[M+Na-2H]- 274.096166 162.6
[M]+ 253.12095142 160.0
[M]- 253.12204858 160.0
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