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 174.6
[M+Na]+ 346.11959 177.2
[M-H]- 322.12309 181.3
[M+NH4]+ 341.16419 186.5
[M+K]+ 362.09353 179.5
[M+H-H2O]+ 306.12763 166.1
[M+HCOO]- 368.12857 189.4
[M+CH3COO]- 382.14422 210.1
[M+Na-2H]- 344.10504 175.7
[M]+ 323.12982 170.5
[M]- 323.13092 170.5
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.