CID 491941

Pritelivir

Structural Information

Molecular Formula
C18H18N4O3S2
SMILES
CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)N
InChI
InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
InChIKey
IVZKZONQVYTCKC-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

574
Patents

402.08203 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08931 189.1
[M+Na]+ 425.07125 199.6
[M+NH4]+ 420.11585 194.9
[M+K]+ 441.04519 193.1
[M-H]- 401.07475 193.3
[M+Na-2H]- 423.05670 196.6
[M]+ 402.08148 192.5
[M]- 402.08258 192.5
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