CID 36690

Brn 0443539

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CN(C)CCOC(=O)C1(C2=C(CCC3=CC=CC=C31)N=CC=C2)O
InChI
InChI=1S/C19H22N2O3/c1-21(2)12-13-24-18(22)19(23)15-7-4-3-6-14(15)9-10-17-16(19)8-5-11-20-17/h3-8,11,23H,9-10,12-13H2,1-2H3
InChIKey
TYJPWISBRRQRBC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 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

326.16306 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 172.6
[M+Na]+ 349.15228 182.5
[M+NH4]+ 344.19688 180.6
[M+K]+ 365.12622 176.0
[M-H]- 325.15578 174.6
[M+Na-2H]- 347.13773 178.7
[M]+ 326.16251 174.7
[M]- 326.16361 174.7
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.