CID 11155874

Mocravimod

Structural Information

Molecular Formula
C24H26ClNO3S
SMILES
C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)Cl
InChI
InChI=1S/C24H26ClNO3S/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18/h1-10,13-14,27-28H,11-12,15-17,26H2
InChIKey
IINUNQPYJGJCJI-UHFFFAOYSA-N
Compound name
2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

1107
Patents

443.1322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.13948 208.0
[M+Na]+ 466.12142 221.7
[M+NH4]+ 461.16602 215.4
[M+K]+ 482.09536 210.8
[M-H]- 442.12492 213.9
[M+Na-2H]- 464.10687 216.6
[M]+ 443.13165 212.6
[M]- 443.13275 212.6
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