CID 3053791

70395-26-5

Structural Information

Molecular Formula
C19H19N5O3
SMILES
CN(CC(=O)NC(=O)NCN1C=NC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H19N5O3/c1-23(14-7-3-2-4-8-14)11-17(25)22-19(27)21-13-24-12-20-16-10-6-5-9-15(16)18(24)26/h2-10,12H,11,13H2,1H3,(H2,21,22,25,27)
InChIKey
YACDMLQGGWAETG-UHFFFAOYSA-N
Compound name
2-(N-methylanilino)-N-[(4-oxoquinazolin-3-yl)methylcarbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15608 183.6
[M+Na]+ 388.13802 188.6
[M-H]- 364.14152 189.6
[M+NH4]+ 383.18262 193.3
[M+K]+ 404.11196 185.2
[M+H-H2O]+ 348.14606 172.5
[M+HCOO]- 410.14700 206.0
[M+CH3COO]- 424.16265 224.7
[M+Na-2H]- 386.12347 190.0
[M]+ 365.14825 184.7
[M]- 365.14935 184.7
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.