CID 9589295

N-(4-(((hexahydro-1-methyl-2h-azepin-2-ylidene)amino)sulfonyl)phenyl)acetamide

Structural Information

Molecular Formula
C15H21N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C/2\CCCCCN2C
InChI
InChI=1S/C15H21N3O3S/c1-12(19)16-13-7-9-14(10-8-13)22(20,21)17-15-6-4-3-5-11-18(15)2/h7-10H,3-6,11H2,1-2H3,(H,16,19)/b17-15+
InChIKey
XSPLMCFETZHWCL-BMRADRMJSA-N
Compound name
N-[4-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13037 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13765 176.6
[M+Na]+ 346.11959 183.4
[M+NH4]+ 341.16419 181.6
[M+K]+ 362.09353 178.2
[M-H]- 322.12309 178.4
[M+Na-2H]- 344.10504 181.0
[M]+ 323.12982 178.2
[M]- 323.13092 178.2
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

No patent data available for this compound.