CID 210625

Poli 151

Structural Information

Molecular Formula
C23H33N3O4
SMILES
CCN(CC)CCOC(=O)C(C)(C1=NN(C2=C1CCCC2)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C23H33N3O4/c1-5-25(6-2)15-16-30-22(27)23(3,28)21-19-9-7-8-10-20(19)26(24-21)17-11-13-18(29-4)14-12-17/h11-14,28H,5-10,15-16H2,1-4H3
InChIKey
OPLCIZMNEILSLM-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2-[1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.2471 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.25438 203.3
[M+Na]+ 438.23632 206.3
[M-H]- 414.23982 207.2
[M+NH4]+ 433.28092 213.1
[M+K]+ 454.21026 203.7
[M+H-H2O]+ 398.24436 193.8
[M+HCOO]- 460.24530 217.9
[M+CH3COO]- 474.26095 229.7
[M+Na-2H]- 436.22177 202.8
[M]+ 415.24655 206.8
[M]- 415.24765 206.8
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.