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]+ 204.11315 143.3
[M+Na]+ 226.09509 153.1
[M-H]- 202.09859 143.6
[M+NH4]+ 221.13969 161.8
[M+K]+ 242.06903 148.6
[M+H-H2O]+ 186.10313 135.3
[M+HCOO]- 248.10407 161.0
[M+CH3COO]- 262.11972 155.4
[M+Na-2H]- 224.08054 150.8
[M]+ 203.10532 142.7
[M]- 203.10642 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.