CID 3059669

Brn 6008341

Structural Information

Molecular Formula
C19H18BrN5O3
SMILES
CC1=CC=C(C=C1)NC(=O)NC(=O)CNCN2C=NC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C19H18BrN5O3/c1-12-2-5-14(6-3-12)23-19(28)24-17(26)9-21-10-25-11-22-16-7-4-13(20)8-15(16)18(25)27/h2-8,11,21H,9-10H2,1H3,(H2,23,24,26,28)
InChIKey
RHPCZJXSEGMKDR-UHFFFAOYSA-N
Compound name
2-[(6-bromo-4-oxoquinazolin-3-yl)methylamino]-N-[(4-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 190.2
[M+Na]+ 466.04852 198.5
[M-H]- 442.05202 197.2
[M+NH4]+ 461.09312 200.4
[M+K]+ 482.02246 185.7
[M+H-H2O]+ 426.05656 185.1
[M+HCOO]- 488.05750 209.2
[M+CH3COO]- 502.07315 231.1
[M+Na-2H]- 464.03397 196.3
[M]+ 443.05875 208.9
[M]- 443.05985 208.9
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.