CID 354971

Nsc607753

Structural Information

Molecular Formula
C36H50N4O4S2
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCCCCCNS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C
InChI
InChI=1S/C36H50N4O4S2/c1-39(2)33-23-15-21-31-29(33)19-17-25-35(31)45(41,42)37-27-13-11-9-7-5-6-8-10-12-14-28-38-46(43,44)36-26-18-20-30-32(36)22-16-24-34(30)40(3)4/h15-26,37-38H,5-14,27-28H2,1-4H3
InChIKey
IRTZZCAOZJTMCS-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-N-[12-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]dodecyl]naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.32733 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.33461 258.5
[M+Na]+ 689.31655 258.3
[M-H]- 665.32005 264.7
[M+NH4]+ 684.36115 260.1
[M+K]+ 705.29049 252.3
[M+H-H2O]+ 649.32459 246.5
[M+HCOO]- 711.32553 268.0
[M+CH3COO]- 725.34118 284.3
[M+Na-2H]- 687.30200 263.9
[M]+ 666.32678 268.7
[M]- 666.32788 268.7
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.