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
3
Annotation Hits

28
References

1107
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 184.4
[M+Na]+ 391.13116 191.9
[M-H]- 367.13466 192.5
[M+NH4]+ 386.17576 191.3
[M+K]+ 407.10510 185.6
[M+H-H2O]+ 351.13920 173.4
[M+HCOO]- 413.14014 197.6
[M+CH3COO]- 427.15579 193.1
[M+Na-2H]- 389.11661 184.9
[M]+ 368.14139 182.1
[M]- 368.14249 182.1
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.