CID 1887413

477318-91-5

Structural Information

Molecular Formula
C27H27N3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(C)C
InChI
InChI=1S/C27H27N3O3S/c1-4-33-20-15-13-19(14-16-20)30-26(32)22-10-6-8-12-24(22)29-27(30)34-17-25(31)28-23-11-7-5-9-21(23)18(2)3/h5-16,18H,4,17H2,1-3H3,(H,28,31)
InChIKey
QPPCWTWVQBIELR-UHFFFAOYSA-N
Compound name
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.1773 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.18458 215.3
[M+Na]+ 496.16652 221.7
[M-H]- 472.17002 222.7
[M+NH4]+ 491.21112 221.2
[M+K]+ 512.14046 214.6
[M+H-H2O]+ 456.17456 203.5
[M+HCOO]- 518.17550 228.2
[M+CH3COO]- 532.19115 222.4
[M+Na-2H]- 494.15197 215.4
[M]+ 473.17675 220.5
[M]- 473.17785 220.5
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.