CID 89821832

1455358-14-1

Structural Information

Molecular Formula
C18H18ClN3O
SMILES
CC(C)(C)N1C2=C(C=CC=N2)[C@]3(C1=O)CC4=C(C3)N=CC(=C4)Cl
InChI
InChI=1S/C18H18ClN3O/c1-17(2,3)22-15-13(5-4-6-20-15)18(16(22)23)8-11-7-12(19)10-21-14(11)9-18/h4-7,10H,8-9H2,1-3H3/t18-/m0/s1
InChIKey
RREAVDHSYGDVEE-SFHVURJKSA-N
Compound name
(6S)-1'-tert-butyl-3-chlorospiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

327.11383 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12111 181.8
[M+Na]+ 350.10305 193.8
[M-H]- 326.10655 186.3
[M+NH4]+ 345.14765 201.2
[M+K]+ 366.07699 186.8
[M+H-H2O]+ 310.11109 173.8
[M+HCOO]- 372.11203 193.0
[M+CH3COO]- 386.12768 192.9
[M+Na-2H]- 348.08850 184.1
[M]+ 327.11328 184.7
[M]- 327.11438 184.7
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