CID 488810

Chembl3337998

Structural Information

Molecular Formula
C22H26N4
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C22H26N4/c1-13-9-15(3)20(16(4)10-13)24-19-7-8-23-22(25-19)26-21-17(5)11-14(2)12-18(21)6/h7-12H,1-6H3,(H2,23,24,25,26)
InChIKey
LWEMNZHOCOFTEQ-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.21576 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22304 190.1
[M+Na]+ 369.20498 199.3
[M-H]- 345.20848 198.2
[M+NH4]+ 364.24958 200.9
[M+K]+ 385.17892 192.3
[M+H-H2O]+ 329.21302 179.1
[M+HCOO]- 391.21396 212.1
[M+CH3COO]- 405.22961 225.3
[M+Na-2H]- 367.19043 192.0
[M]+ 346.21521 191.7
[M]- 346.21631 191.7
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.