CID 504705

Chembl46260

Structural Information

Molecular Formula
C22H32N4
SMILES
CCCN(CC1CC1)C2=NC(=CC(=N2)N(C)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C22H32N4/c1-7-10-26(14-19-8-9-19)22-23-18(5)13-20(24-22)25(6)21-16(3)11-15(2)12-17(21)4/h11-13,19H,7-10,14H2,1-6H3
InChIKey
AFEKRDSXHPZPMD-UHFFFAOYSA-N
Compound name
2-N-(cyclopropylmethyl)-4-N,6-dimethyl-2-N-propyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.2627 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.26998 192.2
[M+Na]+ 375.25192 200.3
[M-H]- 351.25542 202.3
[M+NH4]+ 370.29652 199.4
[M+K]+ 391.22586 195.3
[M+H-H2O]+ 335.25996 181.5
[M+HCOO]- 397.26090 214.9
[M+CH3COO]- 411.27655 233.0
[M+Na-2H]- 373.23737 192.1
[M]+ 352.26215 198.8
[M]- 352.26325 198.8
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.