CID 447962

N-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-n',n'-dimethyl-benzene-1,4-diamine

Structural Information

Molecular Formula
C17H19N5S
SMILES
CC1=C(SC(=N1)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)
InChIKey
FGGSNQOBRJVAKL-UHFFFAOYSA-N
Compound name
1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

35
Patents

325.1361 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.143376 175.9
[M+Na]+ 348.125318 185.4
[M-H]- 324.128824 184.4
[M+NH4]+ 343.169923 188.9
[M+K]+ 364.099258 179.8
[M+H-H2O]+ 308.133360 165.8
[M+HCOO]- 370.134301 195.1
[M+CH3COO]- 384.149951 187.2
[M+Na-2H]- 346.110766 177.0
[M]+ 325.13555142 179.7
[M]- 325.13664858 179.7
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