CID 5387433

Nsc623621

Structural Information

Molecular Formula
C25H23N3O2S
SMILES
CC(C1=CC=CC=C1)NC(=O)C(=O)N/N=C\2/CC(SC3=CC=CC=C23)C4=CC=CC=C4
InChI
InChI=1S/C25H23N3O2S/c1-17(18-10-4-2-5-11-18)26-24(29)25(30)28-27-21-16-23(19-12-6-3-7-13-19)31-22-15-9-8-14-20(21)22/h2-15,17,23H,16H2,1H3,(H,26,29)(H,28,30)/b27-21-
InChIKey
VZJGUNTUZDUHFR-MEFGMAGPSA-N
Compound name
N'-[(Z)-(2-phenyl-2,3-dihydrothiochromen-4-ylidene)amino]-N-(1-phenylethyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1511 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.15838 199.4
[M+Na]+ 452.14032 201.4
[M-H]- 428.14382 209.2
[M+NH4]+ 447.18492 209.0
[M+K]+ 468.11426 195.8
[M+H-H2O]+ 412.14836 189.1
[M+HCOO]- 474.14930 215.5
[M+CH3COO]- 488.16495 206.8
[M+Na-2H]- 450.12577 201.6
[M]+ 429.15055 197.0
[M]- 429.15165 197.0
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.