CID 24851688

(4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile

Structural Information

Molecular Formula
C18H18Cl2N4O
SMILES
CN1CCC2(CC1)[C@@H](C3=C(C(=O)N2)N(C4=C3C=CC(=C4Cl)Cl)C)C#N
InChI
InChI=1S/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1
InChIKey
XGUIMGJMQKZRGM-LLVKDONJSA-N
Compound name
(4R)-7,8-dichloro-1',9-dimethyl-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

376.08575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09303 186.6
[M+Na]+ 399.07497 201.2
[M-H]- 375.07847 186.9
[M+NH4]+ 394.11957 200.4
[M+K]+ 415.04891 188.4
[M+H-H2O]+ 359.08301 172.3
[M+HCOO]- 421.08395 187.3
[M+CH3COO]- 435.09960 194.1
[M+Na-2H]- 397.06042 185.9
[M]+ 376.08520 181.6
[M]- 376.08630 181.6
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