CID 4080740

Chembl426385

Structural Information

Molecular Formula
C26H32N4O2S
SMILES
C1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4
InChI
InChI=1S/C26H32N4O2S/c31-24(27-15-14-21-10-3-1-4-11-21)20-33-26-28-23-13-6-5-12-22(23)25(32)30(26)19-9-18-29-16-7-2-8-17-29/h1,3-6,10-13H,2,7-9,14-20H2,(H,27,31)
InChIKey
MEYBQPYUGFRCTC-UHFFFAOYSA-N
Compound name
2-[4-oxo-3-(3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.2246 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.23188 210.9
[M+Na]+ 487.21382 213.8
[M-H]- 463.21732 215.0
[M+NH4]+ 482.25842 215.3
[M+K]+ 503.18776 205.6
[M+H-H2O]+ 447.22186 198.3
[M+HCOO]- 509.22280 219.7
[M+CH3COO]- 523.23845 215.9
[M+Na-2H]- 485.19927 211.2
[M]+ 464.22405 210.5
[M]- 464.22515 210.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.