CID 6479830

N-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrolyl]-4-pyridyl carboxamide

Structural Information

Molecular Formula
C22H24N4OS
SMILES
CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCSCC4
InChI
InChI=1S/C22H24N4OS/c1-17-20(16-25-11-13-28-14-12-25)15-21(18-5-3-2-4-6-18)26(17)24-22(27)19-7-9-23-10-8-19/h2-10,15H,11-14,16H2,1H3,(H,24,27)
InChIKey
QGSDEXZEZRGVIL-UHFFFAOYSA-N
Compound name
N-[2-methyl-5-phenyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.16708 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.17436 192.9
[M+Na]+ 415.15630 198.1
[M-H]- 391.15980 201.1
[M+NH4]+ 410.20090 201.5
[M+K]+ 431.13024 191.0
[M+H-H2O]+ 375.16434 181.7
[M+HCOO]- 437.16528 205.5
[M+CH3COO]- 451.18093 200.8
[M+Na-2H]- 413.14175 190.9
[M]+ 392.16653 190.6
[M]- 392.16763 190.6
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.