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 205.0
[M+Na]+ 467.16897 209.6
[M-H]- 443.17247 211.3
[M+NH4]+ 462.21357 209.9
[M+K]+ 483.14291 204.0
[M+H-H2O]+ 427.17701 192.6
[M+HCOO]- 489.17795 223.1
[M+CH3COO]- 503.19360 234.8
[M+Na-2H]- 465.15442 209.2
[M]+ 444.17920 205.9
[M]- 444.18030 205.9
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.