CID 15956374

(1s,2s)-5'-chloro-2-(1-methylimidazol-2-yl)spiro[cyclopropane-1,3'-indoline]-2'-one

Structural Information

Molecular Formula

C₁₄H₁₂ClN₃O

SMILES

CN1C=CN=C1[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O

InChI

InChI=1S/C14H12ClN3O/c1-18-5-4-16-12(18)10-7-14(10)9-6-8(15)2-3-11(9)17-13(14)19/h2-6,10H,7H2,1H3,(H,17,19)/t10-,14-/m1/s1

InChIKey

JBSDIAHZDIMCQT-QMTHXVAHSA-N

Compound name

(2'S,3S)-5-chloro-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 273.0669 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.074176	166.6
[M+Na]+	296.056118	180.4
[M-H]-	272.059624	172.3
[M+NH4]+	291.100723	181.3
[M+K]+	312.030058	172.5
[M+H-H2O]+	256.064160	159.6
[M+HCOO]-	318.065101	180.8
[M+CH3COO]-	332.080751	178.2
[M+Na-2H]-	294.041566	167.9
[M]+	273.06635142	170.2
[M]-	273.06744858	170.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.