CID 5276800

Schembl13329971

Structural Information

Molecular Formula
C19H20N4
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)NCCC3=CC=CC=C3
InChI
InChI=1S/C19H20N4/c1-15-14-18(20-13-12-16-8-4-2-5-9-16)23-19(21-15)22-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H2,20,21,22,23)
InChIKey
UTYDHTLLJSYTBJ-UHFFFAOYSA-N
Compound name
6-methyl-2-N-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.1688 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17608 172.1
[M+Na]+ 327.15802 178.0
[M-H]- 303.16152 178.7
[M+NH4]+ 322.20262 183.1
[M+K]+ 343.13196 171.4
[M+H-H2O]+ 287.16606 160.8
[M+HCOO]- 349.16700 195.4
[M+CH3COO]- 363.18265 182.1
[M+Na-2H]- 325.14347 179.9
[M]+ 304.16825 170.6
[M]- 304.16935 170.6
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.