CID 5271603

5-methyl-n2,n4-bis(p-tolyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H20N4
SMILES
CC1=CC=C(C=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)C
InChI
InChI=1S/C19H20N4/c1-13-4-8-16(9-5-13)21-18-15(3)12-20-19(23-18)22-17-10-6-14(2)7-11-17/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKey
XJWGRQWYPZOWEC-UHFFFAOYSA-N
Compound name
5-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.1688 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17608 174.4
[M+Na]+ 327.15802 182.2
[M-H]- 303.16152 181.8
[M+NH4]+ 322.20262 186.0
[M+K]+ 343.13196 175.6
[M+H-H2O]+ 287.16606 163.4
[M+HCOO]- 349.16700 197.6
[M+CH3COO]- 363.18265 185.0
[M+Na-2H]- 325.14347 180.4
[M]+ 304.16825 173.7
[M]- 304.16935 173.7
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

No patent data available for this compound.