CID 54686221

Nsc647419

Structural Information

Molecular Formula
C32H35N3O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C)\C(CN2CCCCC2)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C32H35N3O5S/c1-22-15-17-25(18-16-22)41(38,39)34-33-23(2)27(21-35-19-9-4-10-20-35)29(24-11-5-3-6-12-24)30-31(36)26-13-7-8-14-28(26)40-32(30)37/h3,5-8,11-18,27,29,34,36H,4,9-10,19-21H2,1-2H3/b33-23-
InChIKey
ROMVJTUNRSGIAY-SNCSUOKWSA-N
Compound name
N-[(Z)-[4-(4-hydroxy-2-oxochromen-3-yl)-4-phenyl-3-(piperidin-1-ylmethyl)butan-2-ylidene]amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.22974 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.23702 233.6
[M+Na]+ 596.21896 234.1
[M-H]- 572.22246 243.7
[M+NH4]+ 591.26356 233.4
[M+K]+ 612.19290 230.2
[M+H-H2O]+ 556.22700 221.4
[M+HCOO]- 618.22794 241.5
[M+CH3COO]- 632.24359 257.8
[M+Na-2H]- 594.20441 234.5
[M]+ 573.22919 233.0
[M]- 573.23029 233.0
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.