CID 16786055

3-(aminomethyl)-n-(2-methoxyethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C10H16N2O3S
SMILES
COCCNS(=O)(=O)C1=CC=CC(=C1)CN
InChI
InChI=1S/C10H16N2O3S/c1-15-6-5-12-16(13,14)10-4-2-3-9(7-10)8-11/h2-4,7,12H,5-6,8,11H2,1H3
InChIKey
NJLZMQINOQFCFG-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.08817 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09545 153.3
[M+Na]+ 267.07739 162.1
[M+NH4]+ 262.12199 159.8
[M+K]+ 283.05133 155.6
[M-H]- 243.08089 154.4
[M+Na-2H]- 265.06284 157.9
[M]+ 244.08762 155.0
[M]- 244.08872 155.0
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