CID 5276777

Schembl13329934

Structural Information

Molecular Formula
C23H44N4
SMILES
CCCCCCCCNC1=NC(=NC(=C1)CCC)NCCCCCCCC
InChI
InChI=1S/C23H44N4/c1-4-7-9-11-13-15-18-24-22-20-21(17-6-3)26-23(27-22)25-19-16-14-12-10-8-5-2/h20H,4-19H2,1-3H3,(H2,24,25,26,27)
InChIKey
NFBCNDPNSGKJLX-UHFFFAOYSA-N
Compound name
2-N,4-N-dioctyl-6-propylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.3566 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.36388 202.0
[M+Na]+ 399.34582 203.5
[M-H]- 375.34932 200.5
[M+NH4]+ 394.39042 211.2
[M+K]+ 415.31976 197.7
[M+H-H2O]+ 359.35386 191.2
[M+HCOO]- 421.35480 221.3
[M+CH3COO]- 435.37045 230.7
[M+Na-2H]- 397.33127 202.3
[M]+ 376.35605 207.3
[M]- 376.35715 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

patents stripe