CID 103352

Benzenesulfonamide, n-(6-chloro-8-((4-(diethylamino)-2-methylphenyl)imino)-5,8-dihydro-5-oxo-1-naphthalenyl)-4-methyl-

Structural Information

Molecular Formula
C28H28ClN3O3S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=C2C(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)Cl)C
InChI
InChI=1S/C28H28ClN3O3S/c1-5-32(6-2)20-12-15-24(19(4)16-20)30-26-17-23(29)28(33)22-8-7-9-25(27(22)26)31-36(34,35)21-13-10-18(3)11-14-21/h7-17,31H,5-6H2,1-4H3
InChIKey
LNCSEBZJLNBBQR-UHFFFAOYSA-N
Compound name
N-[6-chloro-8-[4-(diethylamino)-2-methylphenyl]imino-5-oxonaphthalen-1-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.154 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.16128 227.3
[M+Na]+ 544.14322 234.8
[M-H]- 520.14672 239.9
[M+NH4]+ 539.18782 236.1
[M+K]+ 560.11716 228.1
[M+H-H2O]+ 504.15126 217.1
[M+HCOO]- 566.15220 241.1
[M+CH3COO]- 580.16785 256.6
[M+Na-2H]- 542.12867 228.2
[M]+ 521.15345 235.0
[M]- 521.15455 235.0
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.