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

43
Patents

325.1361 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14338 175.9
[M+Na]+ 348.12532 185.4
[M-H]- 324.12882 184.4
[M+NH4]+ 343.16992 188.9
[M+K]+ 364.09926 179.8
[M+H-H2O]+ 308.13336 165.8
[M+HCOO]- 370.13430 195.1
[M+CH3COO]- 384.14995 187.2
[M+Na-2H]- 346.11077 177.0
[M]+ 325.13555 179.7
[M]- 325.13665 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.