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]+ 333.207376 184.9
[M+Na]+ 355.189318 193.7
[M-H]- 331.192824 192.8
[M+NH4]+ 350.233923 196.1
[M+K]+ 371.163258 186.9
[M+H-H2O]+ 315.197360 174.0
[M+HCOO]- 377.198301 207.4
[M+CH3COO]- 391.213951 195.4
[M+Na-2H]- 353.174766 188.2
[M]+ 332.19955142 185.8
[M]- 332.20064858 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.