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: 1
Patents: 331.17834 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	332.185616	178.8
[M+Na]+	354.167558	185.0
[M-H]-	330.171064	180.7
[M+NH4]+	349.212163	192.9
[M+K]+	370.141498	181.4
[M+H-H2O]+	314.175600	170.8
[M+HCOO]-	376.176541	192.1
[M+CH3COO]-	390.192191	212.2
[M+Na-2H]-	352.153006	180.0
[M]+	331.17779142	180.3
[M]-	331.17888858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe