CID 504704

Chembl49036

Structural Information

Molecular Formula
C19H26N4
SMILES
CCCN(CC1CC1)C2=NC(=CC(=N2)N(C)C3=CC=CC=C3)C
InChI
InChI=1S/C19H26N4/c1-4-12-23(14-16-10-11-16)19-20-15(2)13-18(21-19)22(3)17-8-6-5-7-9-17/h5-9,13,16H,4,10-12,14H2,1-3H3
InChIKey
FSOBTLWLCKNQKP-UHFFFAOYSA-N
Compound name
2-N-(cyclopropylmethyl)-4-N,6-dimethyl-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.21576 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.22304 178.7
[M+Na]+ 333.20498 185.5
[M-H]- 309.20848 188.2
[M+NH4]+ 328.24958 186.7
[M+K]+ 349.17892 181.4
[M+H-H2O]+ 293.21302 167.8
[M+HCOO]- 355.21396 202.6
[M+CH3COO]- 369.22961 221.1
[M+Na-2H]- 331.19043 182.4
[M]+ 310.21521 183.1
[M]- 310.21631 183.1
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.