CID 134376

83913-04-6

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CN1C2=CC=CC=C2N(C1=O)CC3CNCCO3
InChI
InChI=1S/C13H17N3O2/c1-15-11-4-2-3-5-12(11)16(13(15)17)9-10-8-14-6-7-18-10/h2-5,10,14H,6-9H2,1H3
InChIKey
BIIVCNBUYOAYOC-UHFFFAOYSA-N
Compound name
1-methyl-3-(morpholin-2-ylmethyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

247.13208 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 155.6
[M+Na]+ 270.12130 169.3
[M+NH4]+ 265.16590 162.9
[M+K]+ 286.09524 164.9
[M-H]- 246.12480 158.8
[M+Na-2H]- 268.10675 161.0
[M]+ 247.13153 158.4
[M]- 247.13263 158.4
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