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]+ 369.149216 186.4
[M+Na]+ 391.131158 193.7
[M-H]- 367.134664 195.4
[M+NH4]+ 386.175763 193.9
[M+K]+ 407.105098 187.9
[M+H-H2O]+ 351.139200 175.0
[M+HCOO]- 413.140141 199.8
[M+CH3COO]- 427.155791 195.2
[M+Na-2H]- 389.116606 186.0
[M]+ 368.14139142 183.6
[M]- 368.14248858 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

literature stripe

Patent stripe

patents stripe