CID 380697

Nsc666402

Structural Information

Molecular Formula
C22H32N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(CC2(CCC4C3CC4(C)C)C)O
InChI
InChI=1S/C22H32N2O3S/c1-15-5-7-16(8-6-15)28(26,27)24-23-19-10-12-22(25)14-21(19,4)11-9-17-18(22)13-20(17,2)3/h5-8,17-18,24-25H,9-14H2,1-4H3
InChIKey
BSQVUDMFVHHRDL-UHFFFAOYSA-N
Compound name
N-[(1-hydroxy-4,4,8-trimethyl-9-tricyclo[6.3.1.02,5]dodecanylidene)amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.21338 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.22066 200.5
[M+Na]+ 427.20260 202.5
[M-H]- 403.20610 205.8
[M+NH4]+ 422.24720 211.7
[M+K]+ 443.17654 203.4
[M+H-H2O]+ 387.21064 190.6
[M+HCOO]- 449.21158 207.8
[M+CH3COO]- 463.22723 228.2
[M+Na-2H]- 425.18805 204.8
[M]+ 404.21283 205.8
[M]- 404.21393 205.8
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.