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
4
Annotation Hits

36
References

984
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 203.9
[M+Na]+ 466.12142 209.2
[M-H]- 442.12492 209.8
[M+NH4]+ 461.16602 212.4
[M+K]+ 482.09536 200.7
[M+H-H2O]+ 426.12946 195.7
[M+HCOO]- 488.13040 213.3
[M+CH3COO]- 502.14605 224.5
[M+Na-2H]- 464.10687 204.4
[M]+ 443.13165 207.9
[M]- 443.13275 207.9
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.