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]+ 338.18630 182.0
[M+Na]+ 360.16824 188.7
[M-H]- 336.17174 188.5
[M+NH4]+ 355.21284 195.8
[M+K]+ 376.14218 185.3
[M+H-H2O]+ 320.17628 172.0
[M+HCOO]- 382.17722 203.7
[M+CH3COO]- 396.19287 217.2
[M+Na-2H]- 358.15369 184.3
[M]+ 337.17847 187.2
[M]- 337.17957 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.