CID 56843158

84254-95-5

Structural Information

Molecular Formula
C19H25NO4
SMILES
CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC(=O)O
InChI
InChI=1S/C19H25NO4/c1-4-12-11-20-6-5-13-8-17(23-2)18(24-3)10-15(13)16(20)7-14(12)9-19(21)22/h8,10,16H,4-7,9,11H2,1-3H3,(H,21,22)
InChIKey
MRYCPUFOGFAHTC-UHFFFAOYSA-N
Compound name
2-(3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.17834 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18562 178.8
[M+Na]+ 354.16756 185.0
[M-H]- 330.17106 180.7
[M+NH4]+ 349.21216 192.9
[M+K]+ 370.14150 181.4
[M+H-H2O]+ 314.17560 170.8
[M+HCOO]- 376.17654 192.1
[M+CH3COO]- 390.19219 212.2
[M+Na-2H]- 352.15301 180.0
[M]+ 331.17779 180.3
[M]- 331.17889 180.3
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.