CID 156312372

2641398-04-9

Structural Information

Molecular Formula
C16H19N3O
SMILES
CCC1=C(NC2=NC3=C(N2C1=O)C=C(C=C3)C)C(C)C
InChI
InChI=1S/C16H19N3O/c1-5-11-14(9(2)3)18-16-17-12-7-6-10(4)8-13(12)19(16)15(11)20/h6-9H,5H2,1-4H3,(H,17,18)
InChIKey
GEBQJASGYKVDHG-UHFFFAOYSA-N
Compound name
3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.1528 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 164.8
[M+Na]+ 292.14202 177.1
[M-H]- 268.14552 166.3
[M+NH4]+ 287.18662 181.5
[M+K]+ 308.11596 170.9
[M+H-H2O]+ 252.15006 157.1
[M+HCOO]- 314.15100 182.7
[M+CH3COO]- 328.16665 176.8
[M+Na-2H]- 290.12747 168.2
[M]+ 269.15225 168.7
[M]- 269.15335 168.7
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

patents stripe