CID 330749

4802-89-5

Structural Information

Molecular Formula
C12H13N3O
SMILES
CCN1C2=CC=CC=C2C(=O)N3C1=NCC3
InChI
InChI=1S/C12H13N3O/c1-2-14-10-6-4-3-5-9(10)11(16)15-8-7-13-12(14)15/h3-6H,2,7-8H2,1H3
InChIKey
KCGUQYXTRFJGEH-UHFFFAOYSA-N
Compound name
10-ethyl-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

215.10587 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 148.4
[M+Na]+ 238.095088 158.2
[M-H]- 214.098594 149.8
[M+NH4]+ 233.139693 167.1
[M+K]+ 254.069028 153.9
[M+H-H2O]+ 198.103130 140.1
[M+HCOO]- 260.104071 165.9
[M+CH3COO]- 274.119721 160.5
[M+Na-2H]- 236.080536 153.8
[M]+ 215.10532142 148.1
[M]- 215.10641858 148.1
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