CID 9589293

126826-61-7

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]+ 281.131816 163.8
[M+Na]+ 303.113758 167.8
[M-H]- 279.117264 170.7
[M+NH4]+ 298.158363 178.0
[M+K]+ 319.087698 169.4
[M+H-H2O]+ 263.121800 156.1
[M+HCOO]- 325.122741 178.6
[M+CH3COO]- 339.138391 201.1
[M+Na-2H]- 301.099206 165.5
[M]+ 280.12399142 160.0
[M]- 280.12508858 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.