CID 670524

N2,n4-bis(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine

Structural Information

Molecular Formula
C21H24N4
SMILES
CC1=CC(=C(C=C1)NC2=NC(=NC(=C2)C)NC3=C(C=C(C=C3)C)C)C
InChI
InChI=1S/C21H24N4/c1-13-6-8-18(15(3)10-13)23-20-12-17(5)22-21(25-20)24-19-9-7-14(2)11-16(19)4/h6-12H,1-5H3,(H2,22,23,24,25)
InChIKey
HVGPIHTZBICXBS-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2001 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20738 184.9
[M+Na]+ 355.18932 193.7
[M-H]- 331.19282 192.8
[M+NH4]+ 350.23392 196.1
[M+K]+ 371.16326 186.9
[M+H-H2O]+ 315.19736 174.0
[M+HCOO]- 377.19830 207.4
[M+CH3COO]- 391.21395 195.4
[M+Na-2H]- 353.17477 188.2
[M]+ 332.19955 185.8
[M]- 332.20065 185.8
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

No patent data available for this compound.