CID 5468231

Nsc666390

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CC3CCC2C3
InChI
InChI=1S/C14H18N2O2S/c1-10-2-6-13(7-3-10)19(17,18)16-15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,16H,4-5,8-9H2,1H3/b15-14+
InChIKey
PZUPHRFHGFOIGG-CCEZHUSRSA-N
Compound name
N-[(E)-2-bicyclo[2.2.1]heptanylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 163.2
[M+Na]+ 301.09812 170.4
[M-H]- 277.10162 170.8
[M+NH4]+ 296.14272 185.2
[M+K]+ 317.07206 167.0
[M+H-H2O]+ 261.10616 158.2
[M+HCOO]- 323.10710 182.4
[M+CH3COO]- 337.12275 201.7
[M+Na-2H]- 299.08357 166.2
[M]+ 278.10835 164.7
[M]- 278.10945 164.7
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.