CID 15956357

Chembl437324

Structural Information

Molecular Formula
C12H10ClN5O
SMILES
CN1C(=NN=N1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C12H10ClN5O/c1-18-10(15-16-17-18)8-5-12(8)7-4-6(13)2-3-9(7)14-11(12)19/h2-4,8H,5H2,1H3,(H,14,19)/t8-,12-/m1/s1
InChIKey
FJMAURUTCZDQPA-PRHODGIISA-N
Compound name
(2'S,3S)-5-chloro-2'-(1-methyltetrazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.05737 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06465 173.2
[M+Na]+ 298.04659 187.7
[M-H]- 274.05009 176.4
[M+NH4]+ 293.09119 185.0
[M+K]+ 314.02053 179.5
[M+H-H2O]+ 258.05463 164.5
[M+HCOO]- 320.05557 185.4
[M+CH3COO]- 334.07122 183.6
[M+Na-2H]- 296.03204 174.2
[M]+ 275.05682 176.7
[M]- 275.05792 176.7
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.