CID 5276752

Schembl13329874

Structural Information

Molecular Formula
C21H24N4
SMILES
CC1=CC(=NC(=N1)NCCC2=CC=CC=C2)NCCC3=CC=CC=C3
InChI
InChI=1S/C21H24N4/c1-17-16-20(22-14-12-18-8-4-2-5-9-18)25-21(24-17)23-15-13-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H2,22,23,24,25)
InChIKey
QSBDGSDBFWGXIN-UHFFFAOYSA-N
Compound name
6-methyl-2-N,4-N-bis(2-phenylethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

332.2001 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20738 180.7
[M+Na]+ 355.18932 185.7
[M-H]- 331.19282 186.9
[M+NH4]+ 350.23392 190.5
[M+K]+ 371.16326 178.6
[M+H-H2O]+ 315.19736 168.9
[M+HCOO]- 377.19830 203.3
[M+CH3COO]- 391.21395 189.8
[M+Na-2H]- 353.17477 187.5
[M]+ 332.19955 179.8
[M]- 332.20065 179.8
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.