CID 5467446

(-)-agelasidine c

Structural Information

Molecular Formula
C23H41N3O2S
SMILES
CC1CCC=C(C1(C)CC/C(=C/CC/C(=C/CS(=O)(=O)CCN=C(N)N)/C)/C)C
InChI
InChI=1S/C23H41N3O2S/c1-18(12-14-23(5)20(3)10-7-11-21(23)4)8-6-9-19(2)13-16-29(27,28)17-15-26-22(24)25/h8,10,13,21H,6-7,9,11-12,14-17H2,1-5H3,(H4,24,25,26)/b18-8+,19-13+
InChIKey
ZKAIIIOGWKNEAA-OKFWMGGISA-N
Compound name
2-[2-[(2E,6E)-3,7-dimethyl-9-(1,2,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dienyl]sulfonylethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.29196 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.29924 205.2
[M+Na]+ 446.28118 205.6
[M-H]- 422.28468 206.3
[M+NH4]+ 441.32578 216.8
[M+K]+ 462.25512 200.7
[M+H-H2O]+ 406.28922 198.2
[M+HCOO]- 468.29016 216.5
[M+CH3COO]- 482.30581 236.9
[M+Na-2H]- 444.26663 199.8
[M]+ 423.29141 204.8
[M]- 423.29251 204.8
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

No patent data available for this compound.