CID 63279

4(3h)-quinazolinone, 2-((acetyloxy)methyl)-6-amino-3-(2-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H17N3O3
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)COC(=O)C
InChI
InChI=1S/C18H17N3O3/c1-11-5-3-4-6-16(11)21-17(10-24-12(2)22)20-15-8-7-13(19)9-14(15)18(21)23/h3-9H,10,19H2,1-2H3
InChIKey
PYRLAIOQFCZHDB-UHFFFAOYSA-N
Compound name
[6-amino-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.12698 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 176.6
[M+Na]+ 346.11620 186.4
[M-H]- 322.11970 181.9
[M+NH4]+ 341.16080 188.8
[M+K]+ 362.09014 181.4
[M+H-H2O]+ 306.12424 166.7
[M+HCOO]- 368.12518 196.8
[M+CH3COO]- 382.14083 212.5
[M+Na-2H]- 344.10165 180.4
[M]+ 323.12643 179.1
[M]- 323.12753 179.1
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.