CID 9567576

2-morpholino-n-[(z)-[2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino]acetamide

Structural Information

Molecular Formula
C20H21N3O3S
SMILES
C1COCCN1CC(=O)N/N=C\C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C20H21N3O3S/c24-19(14-21-22-20(25)15-23-10-12-26-13-11-23)16-6-8-18(9-7-16)27-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,22,25)/b21-14-
InChIKey
FNYXHBDOTNJNIU-STZFKDTASA-N
Compound name
2-morpholin-4-yl-N-[(Z)-[2-oxo-2-(4-phenylsulfanylphenyl)ethylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.13037 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13765 189.9
[M+Na]+ 406.11959 192.2
[M-H]- 382.12309 198.5
[M+NH4]+ 401.16419 198.1
[M+K]+ 422.09353 188.6
[M+H-H2O]+ 366.12763 179.2
[M+HCOO]- 428.12857 204.9
[M+CH3COO]- 442.14422 221.2
[M+Na-2H]- 404.10504 191.6
[M]+ 383.12982 188.9
[M]- 383.13092 188.9
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.