CID 205833

18763-66-1

Structural Information

Molecular Formula
C25H32N4O
SMILES
C1CC2C(CCC1N2CCN=C(N)N)OC3C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C25H32N4O/c26-25(27)28-15-16-29-19-11-13-22(29)23(14-12-19)30-24-20-7-3-1-5-17(20)9-10-18-6-2-4-8-21(18)24/h1-8,19,22-24H,9-16H2,(H4,26,27,28)
InChIKey
MMMYJQNEDXBNHW-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.2576 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.26488 196.0
[M+Na]+ 427.24682 198.3
[M-H]- 403.25032 202.7
[M+NH4]+ 422.29142 209.2
[M+K]+ 443.22076 195.6
[M+H-H2O]+ 387.25486 187.7
[M+HCOO]- 449.25580 210.5
[M+CH3COO]- 463.27145 202.9
[M+Na-2H]- 425.23227 196.9
[M]+ 404.25705 188.4
[M]- 404.25815 188.4
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.