CID 135403391

Brn 0187101

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CC(=O)NC1=CC2=C(C=C1)N=CNC2=O
InChI
InChI=1S/C10H9N3O2/c1-6(14)13-7-2-3-9-8(4-7)10(15)12-5-11-9/h2-5H,1H3,(H,13,14)(H,11,12,15)
InChIKey
LCMHOIYFKXYJDS-UHFFFAOYSA-N
Compound name
N-(4-oxo-3H-quinazolin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

203.06947 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 141.1
[M+Na]+ 226.05869 150.5
[M-H]- 202.06219 142.2
[M+NH4]+ 221.10329 157.8
[M+K]+ 242.03263 146.5
[M+H-H2O]+ 186.06673 133.7
[M+HCOO]- 248.06767 162.0
[M+CH3COO]- 262.08332 184.6
[M+Na-2H]- 224.04414 149.5
[M]+ 203.06892 140.2
[M]- 203.07002 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe