CID 11840966

1059105-22-4

Structural Information

Molecular Formula
C18H20N6OS
SMILES
CC1=C(SC(=N1)N)C2=NC(=NC3=CC=C(C=C3)N4CCOCC4)N=CC2
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/h2-5,7H,6,8-11H2,1H3,(H2,19,21)
InChIKey
RPSZSAKYXPWBRR-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-(4-morpholin-4-ylphenyl)imino-5H-pyrimidin-4-yl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.14194 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14922 186.4
[M+Na]+ 391.13116 193.7
[M-H]- 367.13466 195.4
[M+NH4]+ 386.17576 193.9
[M+K]+ 407.10510 187.9
[M+H-H2O]+ 351.13920 175.0
[M+HCOO]- 413.14014 199.8
[M+CH3COO]- 427.15579 195.2
[M+Na-2H]- 389.11661 186.0
[M]+ 368.14139 183.6
[M]- 368.14249 183.6
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.