CID 117639

25797-78-8

Structural Information

Molecular Formula
C10H16N2O3S
SMILES
CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)N
InChI
InChI=1S/C10H16N2O3S/c1-7-5-9(11)6-10(8(7)2)16(14,15)12-3-4-13/h5-6,12-13H,3-4,11H2,1-2H3
InChIKey
OAXALELBVDDFOC-UHFFFAOYSA-N
Compound name
5-amino-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

244.08817 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09545 152.0
[M+Na]+ 267.07739 159.9
[M-H]- 243.08089 154.3
[M+NH4]+ 262.12199 168.8
[M+K]+ 283.05133 155.8
[M+H-H2O]+ 227.08543 145.9
[M+HCOO]- 289.08637 169.9
[M+CH3COO]- 303.10202 193.5
[M+Na-2H]- 265.06284 154.5
[M]+ 244.08762 153.3
[M]- 244.08872 153.3
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