CID 11970488

Einecs 253-996-6

Structural Information

Molecular Formula
C39H78N6
SMILES
CCCCCCCCN(CCCCCCCC)C1=NC(=NC(=N1)N(CCCCCC)CCCCCC)N(CCCC)CCCC
InChI
InChI=1S/C39H78N6/c1-7-13-19-23-25-29-35-45(36-30-26-24-20-14-8-2)39-41-37(43(31-17-11-5)32-18-12-6)40-38(42-39)44(33-27-21-15-9-3)34-28-22-16-10-4/h7-36H2,1-6H3
InChIKey
URFCTWCGYJQOCS-UHFFFAOYSA-N
Compound name
6-N,6-N-dibutyl-4-N,4-N-dihexyl-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.6288 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.636076 277.7
[M+Na]+ 653.618018 271.9
[M-H]- 629.621524 276.1
[M+NH4]+ 648.662623 290.9
[M+K]+ 669.591958 266.5
[M+H-H2O]+ 613.626060 262.4
[M+HCOO]- 675.627001 290.4
[M+CH3COO]- 689.642651 293.0
[M+Na-2H]- 651.603466 268.8
[M]+ 630.62825142 292.2
[M]- 630.62934858 292.2
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.