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]+ 367.201616 189.6
[M+Na]+ 389.183558 193.8
[M-H]- 365.187064 193.9
[M+NH4]+ 384.228163 201.2
[M+K]+ 405.157498 192.2
[M+H-H2O]+ 349.191600 179.9
[M+HCOO]- 411.192541 200.3
[M+CH3COO]- 425.208191 196.8
[M+Na-2H]- 387.169006 192.3
[M]+ 366.19379142 183.7
[M]- 366.19488858 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.