CID 5271604

2,4-pyrimidinediamine, n,n'-bis(4-methoxyphenyl)-5-methyl-

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CC1=CN=C(N=C1NC2=CC=C(C=C2)OC)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H20N4O2/c1-13-12-20-19(22-15-6-10-17(25-3)11-7-15)23-18(13)21-14-4-8-16(24-2)9-5-14/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKey
SJKKYYALYDMLGE-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(4-methoxyphenyl)-5-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.15863 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 180.3
[M+Na]+ 359.14785 187.7
[M-H]- 335.15135 187.8
[M+NH4]+ 354.19245 190.4
[M+K]+ 375.12179 182.5
[M+H-H2O]+ 319.15589 168.8
[M+HCOO]- 381.15683 203.9
[M+CH3COO]- 395.17248 217.0
[M+Na-2H]- 357.13330 186.5
[M]+ 336.15808 182.3
[M]- 336.15918 182.3
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.