CID 172429331

Campesine f

Structural Information

Molecular Formula
C34H48N6
SMILES
CC(C)[C@H]1CN2[C@@H](CC34[C@H](NC5=CC=CC=C53)N6C[C@@H](N(CC6CC47[C@@H]2NC8=CC=CC=C78)C)C(C)C)CN1C
InChI
InChI=1S/C34H48N6/c1-21(2)29-19-39-23(17-37(29)5)15-34-26-12-8-10-14-28(26)36-32(34)40-20-30(22(3)4)38(6)18-24(40)16-33(34)25-11-7-9-13-27(25)35-31(33)39/h7-14,21-24,29-32,35-36H,15-20H2,1-6H3/t23-,24?,29+,30+,31+,32+,33?,34?/m0/s1
InChIKey
RFZZKYMPDCXFFZ-WXPJFSAISA-N
Compound name
(9R,12S,15S,25R,28S)-13,29-dimethyl-12,28-di(propan-2-yl)-8,10,13,24,26,29-hexazaoctacyclo[15.15.0.01,9.02,7.010,15.017,25.018,23.026,31]dotriaconta-2,4,6,18,20,22-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.39404 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.40132 237.7
[M+Na]+ 563.38326 239.8
[M-H]- 539.38676 235.3
[M+NH4]+ 558.42786 245.7
[M+K]+ 579.35720 228.9
[M+H-H2O]+ 523.39130 221.4
[M+HCOO]- 585.39224 227.4
[M+CH3COO]- 599.40789 237.2
[M+Na-2H]- 561.36871 226.5
[M]+ 540.39349 227.0
[M]- 540.39459 227.0
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.