CID 13372532

101018-69-3

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC1=NC2=C(N1)C=CC(=C2CN3CCOCC3)O
InChI
InChI=1S/C13H17N3O2/c1-9-14-11-2-3-12(17)10(13(11)15-9)8-16-4-6-18-7-5-16/h2-3,17H,4-8H2,1H3,(H,14,15)
InChIKey
NASWQTZQJWQZLD-UHFFFAOYSA-N
Compound name
2-methyl-4-(morpholin-4-ylmethyl)-1H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

247.13208 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 156.5
[M+Na]+ 270.12130 164.8
[M-H]- 246.12480 158.2
[M+NH4]+ 265.16590 170.0
[M+K]+ 286.09524 160.7
[M+H-H2O]+ 230.12934 147.9
[M+HCOO]- 292.13028 171.3
[M+CH3COO]- 306.14593 167.1
[M+Na-2H]- 268.10675 160.5
[M]+ 247.13153 154.4
[M]- 247.13263 154.4
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