CID 71685761

N-[(2-hydroxyphenyl)methyl]-n-propyl-4-(thiomorpholine-4-sulfonyl)-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C19H25N3O4S2
SMILES
CCCN(CC1=CC=CC=C1O)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCSCC3
InChI
InChI=1S/C19H25N3O4S2/c1-2-7-21(14-15-5-3-4-6-18(15)23)19(24)17-12-16(13-20-17)28(25,26)22-8-10-27-11-9-22/h3-6,12-13,20,23H,2,7-11,14H2,1H3
InChIKey
NEKAJWSYOZBPNV-UHFFFAOYSA-N
Compound name
N-[(2-hydroxyphenyl)methyl]-N-propyl-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.12866 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13594 196.4
[M+Na]+ 446.11788 199.8
[M-H]- 422.12138 200.8
[M+NH4]+ 441.16248 204.6
[M+K]+ 462.09182 194.2
[M+H-H2O]+ 406.12592 188.6
[M+HCOO]- 468.12686 201.7
[M+CH3COO]- 482.14251 219.2
[M+Na-2H]- 444.10333 194.2
[M]+ 423.12811 195.8
[M]- 423.12921 195.8
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.