CID 5311426

Sb236057

Structural Information

Molecular Formula
C33H34N4O3
SMILES
CCN1CCC2(CC1)COC3=C2C=C4C(=C3)CCN4C(=O)C5=CC=C(C=C5)C6=C(C=C(C=C6)C7=NN=C(O7)C)C
InChI
InChI=1S/C33H34N4O3/c1-4-36-15-12-33(13-16-36)20-39-30-18-25-11-14-37(29(25)19-28(30)33)32(38)24-7-5-23(6-8-24)27-10-9-26(17-21(27)2)31-35-34-22(3)40-31/h5-10,17-19H,4,11-16,20H2,1-3H3
InChIKey
WXAKEEQOWUHGCI-UHFFFAOYSA-N
Compound name
(1'-ethylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

534.26306 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.27034 230.5
[M+Na]+ 557.25228 237.0
[M-H]- 533.25578 243.6
[M+NH4]+ 552.29688 236.5
[M+K]+ 573.22622 231.7
[M+H-H2O]+ 517.26032 219.0
[M+HCOO]- 579.26126 239.0
[M+CH3COO]- 593.27691 236.7
[M+Na-2H]- 555.23773 220.7
[M]+ 534.26251 230.5
[M]- 534.26361 230.5
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.