CID 11132250

N-tert-butyl-4-[(3-fluoro-4-methoxybenzylidene)amino]benzenesulfonamide

Structural Information

Molecular Formula
C18H21FN2O3S
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)N=CC2=CC(=C(C=C2)OC)F
InChI
InChI=1S/C18H21FN2O3S/c1-18(2,3)21-25(22,23)15-8-6-14(7-9-15)20-12-13-5-10-17(24-4)16(19)11-13/h5-12,21H,1-4H3
InChIKey
PWPGEAPXJJWEJC-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

364.1257 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13298 184.3
[M+Na]+ 387.11492 191.9
[M-H]- 363.11842 191.2
[M+NH4]+ 382.15952 197.6
[M+K]+ 403.08886 187.3
[M+H-H2O]+ 347.12296 175.1
[M+HCOO]- 409.12390 202.5
[M+CH3COO]- 423.13955 219.6
[M+Na-2H]- 385.10037 188.2
[M]+ 364.12515 188.2
[M]- 364.12625 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

patents stripe