CID 3076523

131604-14-3

Structural Information

Molecular Formula
C25H24N4O4
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC4=CC=C(C=C4)C(=O)N(CCO)CCO
InChI
InChI=1S/C25H24N4O4/c30-16-14-28(15-17-31)24(32)19-10-12-20(13-11-19)27-29-23(18-6-2-1-3-7-18)26-22-9-5-4-8-21(22)25(29)33/h1-13,27,30-31H,14-17H2
InChIKey
FNAPAZACNLHCHD-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-4-[(4-oxo-2-phenylquinazolin-3-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.17975 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18703 207.5
[M+Na]+ 467.16897 221.3
[M+NH4]+ 462.21357 212.4
[M+K]+ 483.14291 213.9
[M-H]- 443.17247 213.0
[M+Na-2H]- 465.15442 215.9
[M]+ 444.17920 210.8
[M]- 444.18030 210.8
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.