CID 135742355

1256956-77-0

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=CC2=C(C=C1)C(=O)NC(=N2)CCl
InChI
InChI=1S/C10H9ClN2O2/c1-15-6-2-3-7-8(4-6)12-9(5-11)13-10(7)14/h2-4H,5H2,1H3,(H,12,13,14)
InChIKey
NGMOHIZLMYXGNO-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-7-methoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

224.03525 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 143.3
[M+Na]+ 247.024468 155.0
[M-H]- 223.027974 144.4
[M+NH4]+ 242.069073 160.7
[M+K]+ 262.998408 149.6
[M+H-H2O]+ 207.032510 136.8
[M+HCOO]- 269.033451 159.2
[M+CH3COO]- 283.049101 185.1
[M+Na-2H]- 245.009916 151.2
[M]+ 224.03470142 146.8
[M]- 224.03579858 146.8
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