CID 154975891

Dsp-0390

Structural Information

Molecular Formula
C23H30ClN3O2
SMILES
CC1([C@@H]2CC3(CCN(CC3)CCN4C=CN=C4)CO[C@H]2C5=C(O1)C=C(C=C5)Cl)C
InChI
InChI=1S/C23H30ClN3O2/c1-22(2)19-14-23(5-8-26(9-6-23)11-12-27-10-7-25-16-27)15-28-21(19)18-4-3-17(24)13-20(18)29-22/h3-4,7,10,13,16,19,21H,5-6,8-9,11-12,14-15H2,1-2H3/t19-,21+/m1/s1
InChIKey
QKAZUVQTHFXMLS-CTNGQTDRSA-N
Compound name
(4aR,10bR)-8-chloro-1'-(2-imidazol-1-ylethyl)-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

415.20267 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20995 202.0
[M+Na]+ 438.19189 216.2
[M+NH4]+ 433.23649 213.4
[M+K]+ 454.16583 205.4
[M-H]- 414.19539 209.4
[M+Na-2H]- 436.17734 207.5
[M]+ 415.20212 206.9
[M]- 415.20322 206.9
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

patents stripe