CID 5276796

2,4-pyrimidinediamine, n2-methyl-6-propyl-n4-tridecyl-

Structural Information

Molecular Formula
C21H40N4
SMILES
CCCCCCCCCCCCCNC1=NC(=NC(=C1)CCC)NC
InChI
InChI=1S/C21H40N4/c1-4-6-7-8-9-10-11-12-13-14-15-17-23-20-18-19(16-5-2)24-21(22-3)25-20/h18H,4-17H2,1-3H3,(H2,22,23,24,25)
InChIKey
JAAHRMXWBFYLLF-UHFFFAOYSA-N
Compound name
2-N-methyl-6-propyl-4-N-tridecylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.3253 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.332576 193.6
[M+Na]+ 371.314518 195.9
[M-H]- 347.318024 192.4
[M+NH4]+ 366.359123 204.0
[M+K]+ 387.288458 190.6
[M+H-H2O]+ 331.322560 183.2
[M+HCOO]- 393.323501 213.5
[M+CH3COO]- 407.339151 224.8
[M+Na-2H]- 369.299966 194.9
[M]+ 348.32475142 198.1
[M]- 348.32584858 198.1
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.