CID 366560

Nsc635186

Structural Information

Molecular Formula
C21H27NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C21H27NO3S/c1-14-8-10-16(11-9-14)26(24,25)22-15-12-17(20(2,3)4)19(23)18(13-15)21(5,6)7/h8-13H,1-7H3
InChIKey
JSEGQIPHOYQDSW-UHFFFAOYSA-N
Compound name
N-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.17117 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17845 187.5
[M+Na]+ 396.16039 195.2
[M-H]- 372.16389 195.8
[M+NH4]+ 391.20499 201.3
[M+K]+ 412.13433 191.1
[M+H-H2O]+ 356.16843 180.4
[M+HCOO]- 418.16937 202.1
[M+CH3COO]- 432.18502 221.4
[M+Na-2H]- 394.14584 190.1
[M]+ 373.17062 192.3
[M]- 373.17172 192.3
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.