CID 3059668

Brn 6004499

Structural Information

Molecular Formula
C19H19N5O3
SMILES
CC1=CC=C(C=C1)NC(=O)NC(=O)CNCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H19N5O3/c1-13-6-8-14(9-7-13)22-19(27)23-17(25)10-20-11-24-12-21-16-5-3-2-4-15(16)18(24)26/h2-9,12,20H,10-11H2,1H3,(H2,22,23,25,27)
InChIKey
QKDAIZKRLNRNTK-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)carbamoyl]-2-[(4-oxoquinazolin-3-yl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1488 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15608 184.9
[M+Na]+ 388.13802 196.5
[M+NH4]+ 383.18262 189.9
[M+K]+ 404.11196 190.4
[M-H]- 364.14152 188.6
[M+Na-2H]- 386.12347 191.8
[M]+ 365.14825 187.2
[M]- 365.14935 187.2
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.