CID 6374384

Nsc672226

Structural Information

Molecular Formula
C19H26N2O3S
SMILES
CC1C/C(=N\NS(=O)(=O)C2=CC=C(C=C2)C)/C3=C(O1)CCCCCC3
InChI
InChI=1S/C19H26N2O3S/c1-14-9-11-16(12-10-14)25(22,23)21-20-18-13-15(2)24-19-8-6-4-3-5-7-17(18)19/h9-12,15,21H,3-8,13H2,1-2H3/b20-18+
InChIKey
NGAANMDZZOSQAT-CZIZESTLSA-N
Compound name
4-methyl-N-[(E)-(2-methyl-2,3,5,6,7,8,9,10-octahydrocycloocta[b]pyran-4-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1664 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17368 170.3
[M+Na]+ 385.15562 174.0
[M-H]- 361.15912 174.1
[M+NH4]+ 380.20022 176.1
[M+K]+ 401.12956 173.5
[M+H-H2O]+ 345.16366 165.7
[M+HCOO]- 407.16460 176.4
[M+CH3COO]- 421.18025 237.7
[M+Na-2H]- 383.14107 169.8
[M]+ 362.16585 169.6
[M]- 362.16695 169.6
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.