CID 3061671

Brn 5533020

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1CNC2=NC3=C(N2C1)C=CC(=C3)O
InChI
InChI=1S/C10H11N3O/c14-7-2-3-9-8(6-7)12-10-11-4-1-5-13(9)10/h2-3,6,14H,1,4-5H2,(H,11,12)
InChIKey
WCCGRYZDJUXZKG-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.0
[M+Na]+ 212.07943 148.8
[M-H]- 188.08293 138.1
[M+NH4]+ 207.12403 157.4
[M+K]+ 228.05337 143.7
[M+H-H2O]+ 172.08747 131.6
[M+HCOO]- 234.08841 155.6
[M+CH3COO]- 248.10406 151.0
[M+Na-2H]- 210.06488 146.6
[M]+ 189.08966 136.4
[M]- 189.09076 136.4
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

No patent data available for this compound.