CID 3039154

Dipropionylapomorphine

Structural Information

Molecular Formula
C23H25NO4
SMILES
CCC(=O)OC1=C(C2=C(C[C@@H]3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)CC
InChI
InChI=1S/C23H25NO4/c1-4-19(25)27-18-10-9-15-13-17-21-14(11-12-24(17)3)7-6-8-16(21)22(15)23(18)28-20(26)5-2/h6-10,17H,4-5,11-13H2,1-3H3/t17-/m1/s1
InChIKey
ZQYXVNCCUSJLCX-QGZVFWFLSA-N
Compound name
[(6aR)-6-methyl-11-propanoyloxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

379.17834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 191.9
[M+Na]+ 402.16756 197.6
[M-H]- 378.17106 194.9
[M+NH4]+ 397.21216 205.5
[M+K]+ 418.14150 193.5
[M+H-H2O]+ 362.17560 182.4
[M+HCOO]- 424.17654 203.9
[M+CH3COO]- 438.19219 224.2
[M+Na-2H]- 400.15301 193.5
[M]+ 379.17779 195.2
[M]- 379.17889 195.2
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

patents stripe