CID 5276781

2,4-pyrimidinediamine, n4-[3-(diethylamino)propyl]-n2-octyl-6-propyl-

Structural Information

Molecular Formula
C22H43N5
SMILES
CCCCCCCCNC1=NC(=CC(=N1)NCCCN(CC)CC)CCC
InChI
InChI=1S/C22H43N5/c1-5-9-10-11-12-13-16-24-22-25-20(15-6-2)19-21(26-22)23-17-14-18-27(7-3)8-4/h19H,5-18H2,1-4H3,(H2,23,24,25,26)
InChIKey
IYRJAOUNRRCPOX-UHFFFAOYSA-N
Compound name
4-N-[3-(diethylamino)propyl]-2-N-octyl-6-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.35184 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.35912 201.9
[M+Na]+ 400.34106 203.1
[M-H]- 376.34456 202.1
[M+NH4]+ 395.38566 211.4
[M+K]+ 416.31500 199.0
[M+H-H2O]+ 360.34910 190.7
[M+HCOO]- 422.35004 223.0
[M+CH3COO]- 436.36569 236.1
[M+Na-2H]- 398.32651 202.4
[M]+ 377.35129 207.3
[M]- 377.35239 207.3
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.