CID 21567602

N-[(3-amino-4-methoxyphenyl)methyl]methanesulfonamide

Structural Information

Molecular Formula
C9H14N2O3S
SMILES
COC1=C(C=C(C=C1)CNS(=O)(=O)C)N
InChI
InChI=1S/C9H14N2O3S/c1-14-9-4-3-7(5-8(9)10)6-11-15(2,12)13/h3-5,11H,6,10H2,1-2H3
InChIKey
FREZFOWNGXNPKT-UHFFFAOYSA-N
Compound name
N-[(3-amino-4-methoxyphenyl)methyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.07251 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07979 147.6
[M+Na]+ 253.06173 155.5
[M-H]- 229.06523 151.2
[M+NH4]+ 248.10633 165.4
[M+K]+ 269.03567 152.6
[M+H-H2O]+ 213.06977 141.2
[M+HCOO]- 275.07071 167.4
[M+CH3COO]- 289.08636 191.6
[M+Na-2H]- 251.04718 151.7
[M]+ 230.07196 150.0
[M]- 230.07306 150.0
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