CID 5932108

Nsc685110

Structural Information

Molecular Formula
C22H25NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/C(=C/C=C/C2=CC=CC=C2)/C(=O)C(C)(C)C
InChI
InChI=1S/C22H25NO3S/c1-17-13-15-19(16-14-17)27(25,26)23-20(21(24)22(2,3)4)12-8-11-18-9-6-5-7-10-18/h5-16,23H,1-4H3/b11-8+,20-12+
InChIKey
FHBNMFSRMYLHFF-JOESBUEISA-N
Compound name
N-[(1E,3E)-6,6-dimethyl-5-oxo-1-phenylhepta-1,3-dien-4-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.15552 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16280 192.6
[M+Na]+ 406.14474 197.2
[M-H]- 382.14824 198.4
[M+NH4]+ 401.18934 204.0
[M+K]+ 422.11868 191.3
[M+H-H2O]+ 366.15278 184.6
[M+HCOO]- 428.15372 206.5
[M+CH3COO]- 442.16937 218.2
[M+Na-2H]- 404.13019 193.5
[M]+ 383.15497 194.6
[M]- 383.15607 194.6
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.