CID 5276750

2,4-pyrimidinediamine, n,n'-didodecyl-6-methyl-

Structural Information

Molecular Formula
C29H56N4
SMILES
CCCCCCCCCCCCNC1=NC(=NC(=C1)C)NCCCCCCCCCCCC
InChI
InChI=1S/C29H56N4/c1-4-6-8-10-12-14-16-18-20-22-24-30-28-26-27(3)32-29(33-28)31-25-23-21-19-17-15-13-11-9-7-5-2/h26H,4-25H2,1-3H3,(H2,30,31,32,33)
InChIKey
WAOHLJACZAMZDC-UHFFFAOYSA-N
Compound name
2-N,4-N-didodecyl-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.4505 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.45778 226.8
[M+Na]+ 483.43972 225.6
[M-H]- 459.44322 224.1
[M+NH4]+ 478.48432 232.5
[M+K]+ 499.41366 218.5
[M+H-H2O]+ 443.44776 214.9
[M+HCOO]- 505.44870 244.0
[M+CH3COO]- 519.46435 248.3
[M+Na-2H]- 481.42517 224.1
[M]+ 460.44995 234.2
[M]- 460.45105 234.2
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.