CID 9589293

Brn 4318407

Structural Information

Molecular Formula
C14H20N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\CCCCCN2C
InChI
InChI=1S/C14H20N2O2S/c1-12-7-9-13(10-8-12)19(17,18)15-14-6-4-3-5-11-16(14)2/h7-10H,3-6,11H2,1-2H3/b15-14+
InChIKey
OZQXJGSVJRTSGW-CCEZHUSRSA-N
Compound name
(NE)-4-methyl-N-(1-methylazepan-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.12454 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13182 163.8
[M+Na]+ 303.11376 167.8
[M-H]- 279.11726 170.7
[M+NH4]+ 298.15836 178.0
[M+K]+ 319.08770 169.4
[M+H-H2O]+ 263.12180 156.1
[M+HCOO]- 325.12274 178.6
[M+CH3COO]- 339.13839 201.1
[M+Na-2H]- 301.09921 165.5
[M]+ 280.12399 160.0
[M]- 280.12509 160.0
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

No patent data available for this compound.