CID 7275233

853318-73-7

Structural Information

Molecular Formula
C19H18BrN3O2
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C19H18BrN3O2/c1-12(2)13-3-6-15(7-4-13)22-18(24)10-23-11-21-17-8-5-14(20)9-16(17)19(23)25/h3-9,11-12H,10H2,1-2H3,(H,22,24)
InChIKey
QMOGGJWDZJLTFH-UHFFFAOYSA-N
Compound name
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.05823 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.06551 184.4
[M+Na]+ 422.04745 194.7
[M-H]- 398.05095 191.7
[M+NH4]+ 417.09205 197.3
[M+K]+ 438.02139 181.9
[M+H-H2O]+ 382.05549 180.9
[M+HCOO]- 444.05643 201.3
[M+CH3COO]- 458.07208 221.0
[M+Na-2H]- 420.03290 189.1
[M]+ 399.05768 204.2
[M]- 399.05878 204.2
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.