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]+ 352.14043 178.4
[M+Na]+ 374.12237 183.7
[M-H]- 350.12587 183.1
[M+NH4]+ 369.16697 188.0
[M+K]+ 390.09631 179.2
[M+H-H2O]+ 334.13041 167.6
[M+HCOO]- 396.13135 200.7
[M+CH3COO]- 410.14700 218.7
[M+Na-2H]- 372.10782 186.1
[M]+ 351.13260 178.0
[M]- 351.13370 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.