CID 3070676

86816-92-4

Structural Information

Molecular Formula
C19H18BrN5O3
SMILES
CC1=CC=CC=C1NC(=O)NC(=O)CNCN2C=NC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C19H18BrN5O3/c1-12-4-2-3-5-15(12)23-19(28)24-17(26)9-21-10-25-11-22-16-7-6-13(20)8-14(16)18(25)27/h2-8,11,21H,9-10H2,1H3,(H2,23,24,26,28)
InChIKey
VAHCCUHDQRWZFC-UHFFFAOYSA-N
Compound name
2-[(6-bromo-4-oxoquinazolin-3-yl)methylamino]-N-[(2-methylphenyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.0593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.06658 192.0
[M+Na]+ 466.04852 194.3
[M+NH4]+ 461.09312 193.5
[M+K]+ 482.02246 194.3
[M-H]- 442.05202 193.8
[M+Na-2H]- 464.03397 194.8
[M]+ 443.05875 191.3
[M]- 443.05985 191.3
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.