CID 89821793

1455358-16-3

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CC(C)(C)N1C2=C(C=CC=N2)[C@]3(C1=O)CC4=C(C3)N=CC(=C4)C(=O)O
InChI
InChI=1S/C19H19N3O3/c1-18(2,3)22-15-13(5-4-6-20-15)19(17(22)25)8-11-7-12(16(23)24)10-21-14(11)9-19/h4-7,10H,8-9H2,1-3H3,(H,23,24)/t19-/m0/s1
InChIKey
SNCFRKKJQVCWMN-IBGZPJMESA-N
Compound name
(6S)-1'-tert-butyl-2'-oxospiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

337.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.149916 182.9
[M+Na]+ 360.131858 192.8
[M-H]- 336.135364 186.4
[M+NH4]+ 355.176463 200.1
[M+K]+ 376.105798 187.8
[M+H-H2O]+ 320.139900 175.8
[M+HCOO]- 382.140841 196.5
[M+CH3COO]- 396.156491 193.2
[M+Na-2H]- 358.117306 184.8
[M]+ 337.14209142 184.2
[M]- 337.14318858 184.2
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