CID 15956355

Chembl207974

Structural Information

Molecular Formula
C11H8ClN5O
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=NNN=N4
InChI
InChI=1S/C11H8ClN5O/c12-5-1-2-8-6(3-5)11(10(18)13-8)4-7(11)9-14-16-17-15-9/h1-3,7H,4H2,(H,13,18)(H,14,15,16,17)/t7-,11-/m1/s1
InChIKey
NUOBPLSENUGGLX-RDDDGLTNSA-N
Compound name
(2'S,3S)-5-chloro-2'-(2H-tetrazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.04175 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04903 167.2
[M+Na]+ 284.03097 181.0
[M-H]- 260.03447 169.1
[M+NH4]+ 279.07557 178.7
[M+K]+ 300.00491 172.4
[M+H-H2O]+ 244.03901 158.8
[M+HCOO]- 306.03995 178.5
[M+CH3COO]- 320.05560 177.3
[M+Na-2H]- 282.01642 169.3
[M]+ 261.04120 168.5
[M]- 261.04230 168.5
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.