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

3
Patents

189.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 142.5
[M+Na]+ 212.079428 149.1
[M-H]- 188.082934 140.6
[M+NH4]+ 207.124033 152.8
[M+K]+ 228.053368 146.5
[M+H-H2O]+ 172.087470 130.0
[M+HCOO]- 234.088411 154.1
[M+CH3COO]- 248.104061 152.0
[M+Na-2H]- 210.064876 150.0
[M]+ 189.08966142 142.9
[M]- 189.09075858 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