CID 20768156

86168-95-8

Structural Information

Molecular Formula
C70H132N16
SMILES
CC1(CC(CC(N1)(C)C)N2CCCCCCN(C3=NC(=NC(=N3)NC(C)(C)CC(C)(C)C)N(CCCCCCN(C4=NC(=NC2=N4)NC(C)(C)CC(C)(C)C)C5CC(NC(C5)(C)C)(C)C)C6CC(NC(C6)(C)C)(C)C)C7CC(NC(C7)(C)C)(C)C)C
InChI
InChI=1S/C70H132N16/c1-59(2,3)47-69(23,24)77-53-71-55-75-56(72-53)84(50-41-63(11,12)80-64(13,14)42-50)36-32-28-30-34-38-86(52-45-67(19,20)82-68(21,22)46-52)58-74-54(78-70(25,26)48-60(4,5)6)73-57(76-58)85(51-43-65(15,16)81-66(17,18)44-51)37-33-29-27-31-35-83(55)49-39-61(7,8)79-62(9,10)40-49/h49-52,79-82H,27-48H2,1-26H3,(H,71,72,75,77)(H,73,74,76,78)
InChIKey
QMXSCDIANZDPCU-UHFFFAOYSA-N
Compound name
2,9,15,22-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-12-N,25-N-bis(2,4,4-trimethylpentan-2-yl)-2,9,11,13,15,22,24,26,27,28-decazatricyclo[21.3.1.110,14]octacosa-1(27),10(28),11,13,23,25-hexaene-12,25-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

132
Patents

1197.082 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1198.0893 332.7
[M+Na]+ 1220.0712 333.2
[M+NH4]+ 1215.1158 333.3
[M+K]+ 1236.0452 333.9
[M-H]- 1196.0747 329.9
[M+Na-2H]- 1218.0567 334.8
[M]+ 1197.0815 332.8
[M]- 1197.0825 332.8
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