CID 68851

Pirinixil

Structural Information

Molecular Formula
C16H19ClN4O2S
SMILES
CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C
InChI
InChI=1S/C16H19ClN4O2S/c1-10-4-3-5-12(11(10)2)19-14-8-13(17)20-16(21-14)24-9-15(23)18-6-7-22/h3-5,8,22H,6-7,9H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKey
RZCKTPORLKUFGY-UHFFFAOYSA-N
Compound name
2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

71
Patents

366.09174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09902 182.1
[M+Na]+ 389.08096 189.8
[M-H]- 365.08446 185.1
[M+NH4]+ 384.12556 192.5
[M+K]+ 405.05490 182.6
[M+H-H2O]+ 349.08900 173.9
[M+HCOO]- 411.08994 193.6
[M+CH3COO]- 425.10559 216.4
[M+Na-2H]- 387.06641 183.0
[M]+ 366.09119 186.8
[M]- 366.09229 186.8
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