CID 3059661

Brn 5999061

Structural Information

Molecular Formula
C18H17N5O3
SMILES
C1=CC=C(C=C1)NC(=O)NC(=O)CNCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H17N5O3/c24-16(22-18(26)21-13-6-2-1-3-7-13)10-19-11-23-12-20-15-9-5-4-8-14(15)17(23)25/h1-9,12,19H,10-11H2,(H2,21,22,24,26)
InChIKey
CKLQXTBPBYSWSI-UHFFFAOYSA-N
Compound name
2-[(4-oxoquinazolin-3-yl)methylamino]-N-(phenylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.13315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.140426 178.4
[M+Na]+ 374.122368 183.7
[M-H]- 350.125874 183.1
[M+NH4]+ 369.166973 188.0
[M+K]+ 390.096308 179.2
[M+H-H2O]+ 334.130410 167.6
[M+HCOO]- 396.131351 200.7
[M+CH3COO]- 410.147001 218.7
[M+Na-2H]- 372.107816 186.1
[M]+ 351.13260142 178.0
[M]- 351.13369858 178.0
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.