CID 375299

Nsc654816

Structural Information

Molecular Formula
C24H19ClN4O2S
SMILES
CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19ClN4O2S/c1-16-4-2-3-5-21(16)27-22(30)15-32-24-29-28-23(31-24)18-8-12-20(13-9-18)26-14-17-6-10-19(25)11-7-17/h2-14H,15H2,1H3,(H,27,30)
InChIKey
UJHBITNKCOEEKS-UHFFFAOYSA-N
Compound name
2-[[5-[4-[(4-chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.09174 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.09902 212.2
[M+Na]+ 485.08096 220.8
[M-H]- 461.08446 224.7
[M+NH4]+ 480.12556 219.6
[M+K]+ 501.05490 213.6
[M+H-H2O]+ 445.08900 201.3
[M+HCOO]- 507.08994 226.8
[M+CH3COO]- 521.10559 221.2
[M+Na-2H]- 483.06641 212.2
[M]+ 462.09119 219.0
[M]- 462.09229 219.0
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.