CID 66936955

937263-74-6

Structural Information

Molecular Formula
C15H15N3O
SMILES
CC1=C(C=CC(=C1)N)OC2=CC3=C(C=C2)N(C=N3)C
InChI
InChI=1S/C15H15N3O/c1-10-7-11(16)3-6-15(10)19-12-4-5-14-13(8-12)17-9-18(14)2/h3-9H,16H2,1-2H3
InChIKey
OFTWZBHLTMNBQX-UHFFFAOYSA-N
Compound name
3-methyl-4-(1-methylbenzimidazol-5-yl)oxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

253.1215 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe