CID 3067339

M.g. 18823

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CC(C1=CC=C(C=C1)N2C=C3C=CC=CC3=N2)C(=O)OCCN(C)C
InChI
InChI=1S/C20H23N3O2/c1-15(20(24)25-13-12-22(2)3)16-8-10-18(11-9-16)23-14-17-6-4-5-7-19(17)21-23/h4-11,14-15H,12-13H2,1-3H3
InChIKey
LCXPYUHHRDUDLA-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.186296 182.0
[M+Na]+ 360.168238 188.7
[M-H]- 336.171744 188.5
[M+NH4]+ 355.212843 195.8
[M+K]+ 376.142178 185.3
[M+H-H2O]+ 320.176280 172.0
[M+HCOO]- 382.177221 203.7
[M+CH3COO]- 396.192871 217.2
[M+Na-2H]- 358.153686 184.3
[M]+ 337.17847142 187.2
[M]- 337.17956858 187.2
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.