CID 11970436

26867-92-5

Structural Information

Molecular Formula
C39H78N6
SMILES
CCCCCCCCCCCCNC1=NC(=NC(=N1)NCCCCCCCCCCCC)NCCCCCCCCCCCC
InChI
InChI=1S/C39H78N6/c1-4-7-10-13-16-19-22-25-28-31-34-40-37-43-38(41-35-32-29-26-23-20-17-14-11-8-5-2)45-39(44-37)42-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3,(H3,40,41,42,43,44,45)
InChIKey
JVJAEQNZSBELCT-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-tridodecyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

630.6288 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.636076 268.6
[M+Na]+ 653.618018 262.1
[M-H]- 629.621524 262.6
[M+NH4]+ 648.662623 281.2
[M+K]+ 669.591958 253.0
[M+H-H2O]+ 613.626060 253.8
[M+HCOO]- 675.627001 294.0
[M+CH3COO]- 689.642651 283.8
[M+Na-2H]- 651.603466 262.6
[M]+ 630.62825142 279.3
[M]- 630.62934858 279.3
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