CID 688317

178244-37-6

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CC(C)C1=NC2=CC=CC=C2C(=O)N1N(C(=O)C)C(=O)C
InChI
InChI=1S/C15H17N3O3/c1-9(2)14-16-13-8-6-5-7-12(13)15(21)18(14)17(10(3)19)11(4)20/h5-9H,1-4H3
InChIKey
PBWKVEBFTVIGAR-UHFFFAOYSA-N
Compound name
N-acetyl-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.12698 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 164.0
[M+Na]+ 310.11620 172.2
[M-H]- 286.11970 167.7
[M+NH4]+ 305.16080 178.5
[M+K]+ 326.09014 170.6
[M+H-H2O]+ 270.12424 155.7
[M+HCOO]- 332.12518 183.5
[M+CH3COO]- 346.14083 209.2
[M+Na-2H]- 308.10165 166.7
[M]+ 287.12643 167.8
[M]- 287.12753 167.8
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