CID 24851689

(4r)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile

Structural Information

Molecular Formula
C17H17ClN4O
SMILES
CN1C2=C(C=CC(=C2)Cl)C3=C1C(=O)NC4([C@@H]3C#N)CCNCC4
InChI
InChI=1S/C17H17ClN4O/c1-22-13-8-10(18)2-3-11(13)14-12(9-19)17(4-6-20-7-5-17)21-16(23)15(14)22/h2-3,8,12,20H,4-7H2,1H3,(H,21,23)/t12-/m1/s1
InChIKey
LPFQFJAOMCGYCP-GFCCVEGCSA-N
Compound name
(4R)-7-chloro-9-methyl-1-oxospiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.1091 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11638 177.8
[M+Na]+ 351.09832 190.7
[M-H]- 327.10182 177.2
[M+NH4]+ 346.14292 191.9
[M+K]+ 367.07226 177.9
[M+H-H2O]+ 311.10636 163.1
[M+HCOO]- 373.10730 182.1
[M+CH3COO]- 387.12295 185.3
[M+Na-2H]- 349.08377 179.2
[M]+ 328.10855 169.2
[M]- 328.10965 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe