CID 63691

3-(3-(3-(bis(2-hydroxyethyl)amino)-2-hydroxypropoxy)phenyl)-2-methyl-4(3h)-quinazolinone

Structural Information

Molecular Formula
C22H27N3O5
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OCC(CN(CCO)CCO)O
InChI
InChI=1S/C22H27N3O5/c1-16-23-21-8-3-2-7-20(21)22(29)25(16)17-5-4-6-19(13-17)30-15-18(28)14-24(9-11-26)10-12-27/h2-8,13,18,26-28H,9-12,14-15H2,1H3
InChIKey
DLYMRIMPYCPJRR-UHFFFAOYSA-N
Compound name
3-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.19507 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.20235 199.9
[M+Na]+ 436.18429 211.6
[M+NH4]+ 431.22889 204.1
[M+K]+ 452.15823 206.0
[M-H]- 412.18779 201.6
[M+Na-2H]- 434.16974 204.5
[M]+ 413.19452 201.8
[M]- 413.19562 201.8
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.