CID 375306

Nsc654823

Structural Information

Molecular Formula
C23H16Cl2N4O2S
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H16Cl2N4O2S/c24-17-8-4-15(5-9-17)13-26-19-10-6-16(7-11-19)22-28-29-23(31-22)32-14-21(30)27-20-3-1-2-18(25)12-20/h1-13H,14H2,(H,27,30)
InChIKey
POBHCSOUSLJWRT-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-[[5-[4-[(4-chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.0371 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.04438 213.7
[M+Na]+ 505.02632 222.9
[M-H]- 481.02982 225.6
[M+NH4]+ 500.07092 220.9
[M+K]+ 521.00026 215.4
[M+H-H2O]+ 465.03436 203.3
[M+HCOO]- 527.03530 223.5
[M+CH3COO]- 541.05095 222.4
[M+Na-2H]- 503.01177 213.4
[M]+ 482.03655 221.5
[M]- 482.03765 221.5
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.