CID 66693

Methanesulfonamide, n-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-

Structural Information

Molecular Formula
C12H21N3O2S
SMILES
CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C
InChI
InChI=1S/C12H21N3O2S/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11/h5-6,9,14H,4,7-8,13H2,1-3H3
InChIKey
NPKFETRYYSUTEC-UHFFFAOYSA-N
Compound name
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

6948
Patents

271.13544 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14272 161.3
[M+Na]+ 294.12466 167.4
[M-H]- 270.12816 165.7
[M+NH4]+ 289.16926 177.8
[M+K]+ 310.09860 164.6
[M+H-H2O]+ 254.13270 153.9
[M+HCOO]- 316.13364 181.3
[M+CH3COO]- 330.14929 207.0
[M+Na-2H]- 292.11011 163.7
[M]+ 271.13489 163.9
[M]- 271.13599 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe