CID 36691

Brn 0452958

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CN1CCCCC1COC(=O)C2(C3=C(CCC4=CC=CC=C42)N=CC=C3)O
InChI
InChI=1S/C22H26N2O3/c1-24-14-5-4-8-17(24)15-27-21(25)22(26)18-9-3-2-7-16(18)11-12-20-19(22)10-6-13-23-20/h2-3,6-7,9-10,13,17,26H,4-5,8,11-12,14-15H2,1H3
InChIKey
UZUKYGHVKYGTOC-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-2-yl)methyl 2-hydroxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 189.6
[M+Na]+ 389.18356 193.8
[M-H]- 365.18706 193.9
[M+NH4]+ 384.22816 201.2
[M+K]+ 405.15750 192.2
[M+H-H2O]+ 349.19160 179.9
[M+HCOO]- 411.19254 200.3
[M+CH3COO]- 425.20819 196.8
[M+Na-2H]- 387.16901 192.3
[M]+ 366.19379 183.7
[M]- 366.19489 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.