CID 3630205

618880-69-6

Structural Information

Molecular Formula
C24H14ClF6N3O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H14ClF6N3O2S/c25-15-5-7-17(8-6-15)34-21(36)18-3-1-2-4-19(18)33-22(34)37-12-20(35)32-16-10-13(23(26,27)28)9-14(11-16)24(29,30)31/h1-11H,12H2,(H,32,35)
InChIKey
BWTVIGPHNDERKD-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.0399 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.04718 207.6
[M+Na]+ 580.02912 214.5
[M+NH4]+ 575.07372 208.7
[M+K]+ 596.00306 208.2
[M-H]- 556.03262 204.0
[M+Na-2H]- 578.01457 210.4
[M]+ 557.03935 207.7
[M]- 557.04045 207.7
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.