CID 5276808

Schembl13329980

Structural Information

Molecular Formula
C24H46N4
SMILES
CCCCCCCCNC1=NC(=NC(=C1)C(C)(C)C)NCCCCCCCC
InChI
InChI=1S/C24H46N4/c1-6-8-10-12-14-16-18-25-22-20-21(24(3,4)5)27-23(28-22)26-19-17-15-13-11-9-7-2/h20H,6-19H2,1-5H3,(H2,25,26,27,28)
InChIKey
DOODVZYOARNAPW-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-N,4-N-dioctylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

390.37225 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.37953 208.4
[M+Na]+ 413.36147 210.0
[M-H]- 389.36497 207.1
[M+NH4]+ 408.40607 217.3
[M+K]+ 429.33541 204.5
[M+H-H2O]+ 373.36951 198.2
[M+HCOO]- 435.37045 225.7
[M+CH3COO]- 449.38610 233.5
[M+Na-2H]- 411.34692 208.8
[M]+ 390.37170 213.4
[M]- 390.37280 213.4
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