CID 122016

Dauda

Structural Information

Molecular Formula
C23H34N2O4S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCCCC(=O)O
InChI
InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)
InChIKey
CEPGVMDMVJGHFQ-UHFFFAOYSA-N
Compound name
11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

52
References

109
Patents

434.22394 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.23122 205.0
[M+Na]+ 457.21316 212.5
[M+NH4]+ 452.25776 209.7
[M+K]+ 473.18710 204.7
[M-H]- 433.21666 205.8
[M+Na-2H]- 455.19861 207.5
[M]+ 434.22339 206.4
[M]- 434.22449 206.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe