CID 7275234

853318-79-3

Structural Information

Molecular Formula
C19H18BrN3O2
SMILES
CCC1=CC=CC(=C1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)C
InChI
InChI=1S/C19H18BrN3O2/c1-3-13-6-4-5-12(2)18(13)22-17(24)10-23-11-21-16-8-7-14(20)9-15(16)19(23)25/h4-9,11H,3,10H2,1-2H3,(H,22,24)
InChIKey
JNURUSXLHPGFQC-UHFFFAOYSA-N
Compound name
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-ethyl-6-methylphenyl)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 184.7
[M+Na]+ 422.04745 196.2
[M-H]- 398.05095 192.3
[M+NH4]+ 417.09205 198.0
[M+K]+ 438.02139 182.9
[M+H-H2O]+ 382.05549 181.1
[M+HCOO]- 444.05643 202.5
[M+CH3COO]- 458.07208 221.4
[M+Na-2H]- 420.03290 189.7
[M]+ 399.05768 205.4
[M]- 399.05878 205.4
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.