CID 9571458

Nsc666398

Structural Information

Molecular Formula
C27H22N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C27H22N2O2S/c1-20-15-17-22(18-16-20)32(30,31)29-28-19-27(21-9-3-2-4-10-21)25-13-7-5-11-23(25)24-12-6-8-14-26(24)27/h2-19,29H,1H3/b28-19+
InChIKey
IQWDOFYXFDSDPM-TURZUDJPSA-N
Compound name
4-methyl-N-[(E)-(9-phenylfluoren-9-yl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1402 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.14748 206.1
[M+Na]+ 461.12942 214.8
[M-H]- 437.13292 218.7
[M+NH4]+ 456.17402 221.2
[M+K]+ 477.10336 207.3
[M+H-H2O]+ 421.13746 196.7
[M+HCOO]- 483.13840 225.4
[M+CH3COO]- 497.15405 216.1
[M+Na-2H]- 459.11487 212.7
[M]+ 438.13965 209.8
[M]- 438.14075 209.8
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.