CID 3050553

Brn 1663642

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O3S/c23-19(14-21-12-2-1-3-13-21)20-15-4-8-17(9-5-15)26-18-10-6-16(7-11-18)22(24)25/h4-11H,1-3,12-14H2,(H,20,23)
InChIKey
MHGNQDQPCZNZNT-UHFFFAOYSA-N
Compound name
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.13037 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.137646 183.7
[M+Na]+ 394.119588 185.0
[M-H]- 370.123094 190.3
[M+NH4]+ 389.164193 192.5
[M+K]+ 410.093528 175.6
[M+H-H2O]+ 354.127630 177.8
[M+HCOO]- 416.128571 198.3
[M+CH3COO]- 430.144221 210.2
[M+Na-2H]- 392.105036 186.3
[M]+ 371.12982142 178.5
[M]- 371.13091858 178.5
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.