CID 394609

Nsc698189

Structural Information

Molecular Formula
C22H23NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2C3=CC=CC=C3C4=C2C(NCC4)CC=C
InChI
InChI=1S/C22H23NO2S/c1-3-6-20-21-18(13-14-23-20)17-7-4-5-8-19(17)22(21)26(24,25)16-11-9-15(2)10-12-16/h3-5,7-12,20,22-23H,1,6,13-14H2,2H3
InChIKey
VNCRYOJGFHUMDP-UHFFFAOYSA-N
Compound name
9-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.14496 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15224 188.4
[M+Na]+ 388.13418 196.6
[M-H]- 364.13768 193.9
[M+NH4]+ 383.17878 203.4
[M+K]+ 404.10812 188.8
[M+H-H2O]+ 348.14222 181.5
[M+HCOO]- 410.14316 199.2
[M+CH3COO]- 424.15881 197.8
[M+Na-2H]- 386.11963 189.0
[M]+ 365.14441 188.9
[M]- 365.14551 188.9
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.