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 167.1
[M+Na]+ 303.11376 176.1
[M+NH4]+ 298.15836 173.7
[M+K]+ 319.08770 169.5
[M-H]- 279.11726 169.8
[M+Na-2H]- 301.09921 172.7
[M]+ 280.12399 169.5
[M]- 280.12509 169.5
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.