CID 63988

117039-04-0

Structural Information

Molecular Formula
C26H30N4O4S
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCOCC4)CN5CCCC5=O
InChI
InChI=1S/C26H30N4O4S/c1-33-20-10-8-19(9-11-20)30-25(32)22-5-2-3-6-23(22)27-26(30)35-21(17-28-13-15-34-16-14-28)18-29-12-4-7-24(29)31/h2-3,5-6,8-11,21H,4,7,12-18H2,1H3
InChIKey
UVXZRHBEVMQQQE-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2-[1-morpholin-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.1988 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.20608 216.1
[M+Na]+ 517.18802 229.4
[M+NH4]+ 512.23262 221.6
[M+K]+ 533.16196 222.2
[M-H]- 493.19152 222.6
[M+Na-2H]- 515.17347 221.8
[M]+ 494.19825 220.2
[M]- 494.19935 220.2
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.