CID 462146

Na-cpt

Structural Information

Molecular Formula
C20H18N2O5
SMILES
CC[C@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)O)O
InChI
InChI=1S/C20H18N2O5/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17/h3-8,23,27H,2,9-10H2,1H3,(H,25,26)/t20-/m0/s1
InChIKey
SARNOWGPKQIWFT-FQEVSTJZSA-N
Compound name
(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

187
Patents

366.12158 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 184.9
[M+Na]+ 389.11080 197.1
[M+NH4]+ 384.15540 190.4
[M+K]+ 405.08474 194.3
[M-H]- 365.11430 184.1
[M+Na-2H]- 387.09625 186.6
[M]+ 366.12103 186.2
[M]- 366.12213 186.2
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