CID 90317236

2253632-90-3

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1C2(CN1)NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C10H11N3O/c14-9-7-3-1-2-4-8(7)12-10(13-9)5-11-6-10/h1-4,11-12H,5-6H2,(H,13,14)
InChIKey
XJMZNMJLFXAKPM-UHFFFAOYSA-N
Compound name
spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 142.5
[M+Na]+ 212.07943 149.1
[M-H]- 188.08293 140.6
[M+NH4]+ 207.12403 152.8
[M+K]+ 228.05337 146.5
[M+H-H2O]+ 172.08747 130.0
[M+HCOO]- 234.08841 154.1
[M+CH3COO]- 248.10406 152.0
[M+Na-2H]- 210.06488 150.0
[M]+ 189.08966 142.9
[M]- 189.09076 142.9
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