CID 3003898

61766-87-8

Structural Information

Molecular Formula
C20H26N2O2S
SMILES
CCN(CC)C/C(=C(/C1=CC=CC=C1)\C2=CC=CC=C2S(=O)(=O)N)/C
InChI
InChI=1S/C20H26N2O2S/c1-4-22(5-2)15-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)25(21,23)24/h6-14H,4-5,15H2,1-3H3,(H2,21,23,24)/b20-16-
InChIKey
XNSRSQRZHIOLTM-SILNSSARSA-N
Compound name
2-[(Z)-3-(diethylamino)-2-methyl-1-phenylprop-1-enyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1715 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17878 186.8
[M+Na]+ 381.16072 190.6
[M-H]- 357.16422 193.4
[M+NH4]+ 376.20532 199.2
[M+K]+ 397.13466 186.1
[M+H-H2O]+ 341.16876 178.1
[M+HCOO]- 403.16970 203.0
[M+CH3COO]- 417.18535 220.5
[M+Na-2H]- 379.14617 186.3
[M]+ 358.17095 188.2
[M]- 358.17205 188.2
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.