CID 3050735

Brn 1229173

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
C1COCCN1CC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H19N3O4S/c22-18(13-20-9-11-25-12-10-20)19-14-1-5-16(6-2-14)26-17-7-3-15(4-8-17)21(23)24/h1-8H,9-13H2,(H,19,22)
InChIKey
RUKVPGISKRPCDA-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10962 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11690 183.5
[M+Na]+ 396.09884 185.3
[M-H]- 372.10234 191.1
[M+NH4]+ 391.14344 190.9
[M+K]+ 412.07278 177.6
[M+H-H2O]+ 356.10688 177.6
[M+HCOO]- 418.10782 197.9
[M+CH3COO]- 432.12347 209.6
[M+Na-2H]- 394.08429 187.5
[M]+ 373.10907 179.9
[M]- 373.11017 179.9
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.