CID 388455

Nsc683385

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1CN2C3=CC=CC=C3N=C2NC1=O
InChI
InChI=1S/C11H11N3O/c1-7-6-14-9-5-3-2-4-8(9)12-11(14)13-10(7)15/h2-5,7H,6H2,1H3,(H,12,13,15)
InChIKey
WGEDKBYCFLUIEM-UHFFFAOYSA-N
Compound name
3-methyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.09021 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.1
[M+Na]+ 224.07943 154.1
[M-H]- 200.08293 143.8
[M+NH4]+ 219.12403 161.8
[M+K]+ 240.05337 148.9
[M+H-H2O]+ 184.08747 135.4
[M+HCOO]- 246.08841 160.9
[M+CH3COO]- 260.10406 155.6
[M+Na-2H]- 222.06488 149.7
[M]+ 201.08966 142.2
[M]- 201.09076 142.2
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