CID 63172

Brn 6018677

Structural Information

Molecular Formula
C27H26N4O2S
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5
InChI
InChI=1S/C27H26N4O2S/c1-20-11-13-21(14-12-20)29-15-17-30(18-16-29)25(32)19-34-27-28-24-10-6-5-9-23(24)26(33)31(27)22-7-3-2-4-8-22/h2-14H,15-19H2,1H3
InChIKey
BCLSEGVOUBEZMR-UHFFFAOYSA-N
Compound name
2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.17764 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.18492 211.5
[M+Na]+ 493.16686 228.9
[M+NH4]+ 488.21146 218.4
[M+K]+ 509.14080 217.2
[M-H]- 469.17036 218.9
[M+Na-2H]- 491.15231 221.9
[M]+ 470.17709 216.7
[M]- 470.17819 216.7
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.