CID 16215971

J-30

Structural Information

Molecular Formula
C21H19N3O4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C2C(=CC=C3)NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C21H19N3O4S/c1-28-17-5-7-18(8-6-17)29(26,27)24-14-11-15-3-2-4-19(20(15)24)23-21(25)16-9-12-22-13-10-16/h2-10,12-13H,11,14H2,1H3,(H,23,25)
InChIKey
QGWOKAXBIMWTNE-UHFFFAOYSA-N
Compound name
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

409.10962 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11690 192.5
[M+Na]+ 432.09884 205.2
[M+NH4]+ 427.14344 198.7
[M+K]+ 448.07278 199.0
[M-H]- 408.10234 196.8
[M+Na-2H]- 430.08429 200.7
[M]+ 409.10907 195.9
[M]- 409.11017 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe