CID 67118

Xyloylsulfamine

Structural Information

Molecular Formula
C15H16N2O3S
SMILES
CC1=C(C=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C15H16N2O3S/c1-10-3-4-12(9-11(10)2)15(18)17-21(19,20)14-7-5-13(16)6-8-14/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
LFAXYIHYMGEIHW-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-3,4-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1130
Patents

304.08817 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09545 168.8
[M+Na]+ 327.07739 180.1
[M+NH4]+ 322.12199 175.4
[M+K]+ 343.05133 173.1
[M-H]- 303.08089 172.3
[M+Na-2H]- 325.06284 175.8
[M]+ 304.08762 171.7
[M]- 304.08872 171.7
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

patents stripe