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 152.0
[M+Na]+ 267.07739 158.7
[M-H]- 243.08089 155.0
[M+NH4]+ 262.12199 169.0
[M+K]+ 283.05133 155.4
[M+H-H2O]+ 227.08543 145.2
[M+HCOO]- 289.08637 171.5
[M+CH3COO]- 303.10202 193.4
[M+Na-2H]- 265.06284 156.3
[M]+ 244.08762 154.4
[M]- 244.08872 154.4
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