CID 69673196

Alintegimod

Structural Information

Molecular Formula
C28H32N2O6S4
SMILES
C1=CSC(=C1)CN(CC2=CC=CS2)C(=O)OCCOCCOCCOC(=O)N(CC3=CC=CS3)CC4=CC=CS4
InChI
InChI=1S/C28H32N2O6S4/c31-27(29(19-23-5-1-15-37-23)20-24-6-2-16-38-24)35-13-11-33-9-10-34-12-14-36-28(32)30(21-25-7-3-17-39-25)22-26-8-4-18-40-26/h1-8,15-18H,9-14,19-22H2
InChIKey
PSBCCRKKPBQYJK-UHFFFAOYSA-N
Compound name
2-[2-[2-[bis(thiophen-2-ylmethyl)carbamoyloxy]ethoxy]ethoxy]ethyl N,N-bis(thiophen-2-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

620.1143 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.12158 229.2
[M+Na]+ 643.10352 233.6
[M+NH4]+ 638.14812 234.5
[M+K]+ 659.07746 228.0
[M-H]- 619.10702 234.5
[M+Na-2H]- 641.08897 234.7
[M]+ 620.11375 232.7
[M]- 620.11485 232.7
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

patents stripe