CID 3044920

57860-69-2

Structural Information

Molecular Formula
C37H47FN2O3
SMILES
CC(CCCC1=CC=C(C=C1)F)C2=CC3=C(C4=C(CCN(C4)CC#C)C(O3)(C)C)C(=C2)OC(=O)CCCN5CCCCC5
InChI
InChI=1S/C37H47FN2O3/c1-5-19-40-23-18-32-31(26-40)36-33(42-35(41)13-10-22-39-20-7-6-8-21-39)24-29(25-34(36)43-37(32,3)4)27(2)11-9-12-28-14-16-30(38)17-15-28/h1,14-17,24-25,27H,6-13,18-23,26H2,2-4H3
InChIKey
PZWAMLJMRJINKY-UHFFFAOYSA-N
Compound name
[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

586.35706 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.36434 244.9
[M+Na]+ 609.34628 249.2
[M-H]- 585.34978 245.6
[M+NH4]+ 604.39088 245.9
[M+K]+ 625.32022 237.0
[M+H-H2O]+ 569.35432 224.3
[M+HCOO]- 631.35526 242.9
[M+CH3COO]- 645.37091 245.2
[M+Na-2H]- 607.33173 236.9
[M]+ 586.35651 236.1
[M]- 586.35761 236.1
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.