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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07418 166.6
[M+Na]+ 296.05612 180.4
[M-H]- 272.05962 172.3
[M+NH4]+ 291.10072 181.3
[M+K]+ 312.03006 172.5
[M+H-H2O]+ 256.06416 159.6
[M+HCOO]- 318.06510 180.8
[M+CH3COO]- 332.08075 178.2
[M+Na-2H]- 294.04157 167.9
[M]+ 273.06635 170.2
[M]- 273.06745 170.2
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

No patent data available for this compound.