CID 383509

Nsc671896

Structural Information

Molecular Formula
C34H42N2O4S
SMILES
CCCCCCCN1C2=CC=CC=C2C(C1=O)(C3=CC=C(S3)C4(C5=CC=CC=C5N(C4=O)CCCCCCC)O)O
InChI
InChI=1S/C34H42N2O4S/c1-3-5-7-9-15-23-35-27-19-13-11-17-25(27)33(39,31(35)37)29-21-22-30(41-29)34(40)26-18-12-14-20-28(26)36(32(34)38)24-16-10-8-6-4-2/h11-14,17-22,39-40H,3-10,15-16,23-24H2,1-2H3
InChIKey
RBAXLWYUWUWQLG-UHFFFAOYSA-N
Compound name
1-heptyl-3-[5-(1-heptyl-3-hydroxy-2-oxoindol-3-yl)thiophen-2-yl]-3-hydroxyindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.2865 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.29378 241.2
[M+Na]+ 597.27572 247.8
[M-H]- 573.27922 247.8
[M+NH4]+ 592.32032 253.4
[M+K]+ 613.24966 239.9
[M+H-H2O]+ 557.28376 234.7
[M+HCOO]- 619.28470 250.2
[M+CH3COO]- 633.30035 250.0
[M+Na-2H]- 595.26117 233.6
[M]+ 574.28595 249.9
[M]- 574.28705 249.9
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.