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 180.2
[M+Na]+ 396.09884 192.5
[M+NH4]+ 391.14344 187.2
[M+K]+ 412.07278 187.0
[M-H]- 372.10234 188.2
[M+Na-2H]- 394.08429 188.0
[M]+ 373.10907 184.4
[M]- 373.11017 184.4
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.