CID 135429915

Nsc601348

Structural Information

Molecular Formula
C10H9N3O3
SMILES
COC(=O)NC1=NC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H9N3O3/c1-16-10(15)13-9-11-7-5-3-2-4-6(7)8(14)12-9/h2-5H,1H3,(H2,11,12,13,14,15)
InChIKey
GJYUSVQLZUWFLI-UHFFFAOYSA-N
Compound name
methyl N-(4-oxo-3H-quinazolin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.06439 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 144.1
[M+Na]+ 242.05361 153.3
[M-H]- 218.05711 145.2
[M+NH4]+ 237.09821 160.1
[M+K]+ 258.02755 150.0
[M+H-H2O]+ 202.06165 136.5
[M+HCOO]- 264.06259 165.1
[M+CH3COO]- 278.07824 186.1
[M+Na-2H]- 240.03906 152.6
[M]+ 219.06384 144.5
[M]- 219.06494 144.5
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.