CID 138396372

(1z,4z,9z,12e)-2,10-di-tert-butyl-4,12-bis(heptafluoropropyl)-1,5,9,13-tetraazacyclohexadeca-1,4,9,12-tetraene

Structural Information

Molecular Formula
C26H34F14N4
SMILES
CC(C)(C)C1=NCCCN=C(CC(=NCCCN=C(C1)C(C(C(F)(F)F)(F)F)(F)F)C(C)(C)C)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C26H34F14N4/c1-19(2,3)15-13-17(21(27,28)23(31,32)25(35,36)37)43-12-8-10-42-16(20(4,5)6)14-18(44-11-7-9-41-15)22(29,30)24(33,34)26(38,39)40/h7-14H2,1-6H3
InChIKey
UYRIJNJIDYTBCG-UHFFFAOYSA-N
Compound name
2,10-ditert-butyl-4,12-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

668.256 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.26328 173.7
[M+Na]+ 691.24522 173.4
[M+NH4]+ 686.28982 172.7
[M+K]+ 707.21916 173.3
[M-H]- 667.24872 170.4
[M+Na-2H]- 689.23067 173.2
[M]+ 668.25545 172.6
[M]- 668.25655 172.6
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.