CID 3061673

8-methoxy-1,2,3,4-tetrahydropyrimido(1,2-a)benzimidazole oxalate

Structural Information

Molecular Formula
C11H13N3O
SMILES
COC1=CC2=C(C=C1)N3CCCNC3=N2
InChI
InChI=1S/C11H13N3O/c1-15-8-3-4-10-9(7-8)13-11-12-5-2-6-14(10)11/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKey
VIMQPWODCNLTIN-UHFFFAOYSA-N
Compound name
8-methoxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 143.3
[M+Na]+ 226.095088 153.1
[M-H]- 202.098594 143.6
[M+NH4]+ 221.139693 161.8
[M+K]+ 242.069028 148.6
[M+H-H2O]+ 186.103130 135.3
[M+HCOO]- 248.104071 161.0
[M+CH3COO]- 262.119721 155.4
[M+Na-2H]- 224.080536 150.8
[M]+ 203.10532142 142.7
[M]- 203.10641858 142.7
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

No patent data available for this compound.