CID 6420138

693228-63-6

Structural Information

Molecular Formula
C18H20N6OS
SMILES
CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
InChIKey
GPSZYOIFQZPWEJ-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

1410
Patents

368.14194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14922 183.7
[M+Na]+ 391.13116 197.2
[M+NH4]+ 386.17576 190.6
[M+K]+ 407.10510 190.5
[M-H]- 367.13466 192.0
[M+Na-2H]- 389.11661 192.7
[M]+ 368.14139 188.3
[M]- 368.14249 188.3
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