CID 6104701

Nsc686967

Structural Information

Molecular Formula
C20H24N2O3S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N/N=C/2\CCCC3=C2C=CC(=C3)OC)C
InChI
InChI=1S/C20H24N2O3S/c1-13-10-14(2)20(15(3)11-13)26(23,24)22-21-19-7-5-6-16-12-17(25-4)8-9-18(16)19/h8-12,22H,5-7H2,1-4H3/b21-19+
InChIKey
GMHPMUJKNIBQPM-XUTLUUPISA-N
Compound name
N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2,4,6-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15076 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15804 186.4
[M+Na]+ 395.13998 193.6
[M-H]- 371.14348 195.0
[M+NH4]+ 390.18458 200.5
[M+K]+ 411.11392 188.8
[M+H-H2O]+ 355.14802 178.0
[M+HCOO]- 417.14896 203.4
[M+CH3COO]- 431.16461 224.2
[M+Na-2H]- 393.12543 189.5
[M]+ 372.15021 189.7
[M]- 372.15131 189.7
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.