CID 3700149

N-[(3,4-dimethoxyphenyl)methyl]-2,4,6-trimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C18H23NO4S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C18H23NO4S/c1-12-8-13(2)18(14(3)9-12)24(20,21)19-11-15-6-7-16(22-4)17(10-15)23-5/h6-10,19H,11H2,1-5H3
InChIKey
IJZNARCHSYINAH-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.13477 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14205 180.3
[M+Na]+ 372.12399 189.0
[M-H]- 348.12749 187.8
[M+NH4]+ 367.16859 194.3
[M+K]+ 388.09793 185.0
[M+H-H2O]+ 332.13203 172.5
[M+HCOO]- 394.13297 198.6
[M+CH3COO]- 408.14862 215.8
[M+Na-2H]- 370.10944 181.7
[M]+ 349.13422 187.9
[M]- 349.13532 187.9
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.