CID 513593

N-methyllauroetanine

Structural Information

Molecular Formula
C21H25NO4
SMILES
C[C@@H]1C2C3=C(C4=CC(=C(C=C14)O)OC)C(=C(C=C3CCN2C)OC)OC
InChI
InChI=1S/C21H25NO4/c1-11-13-9-15(23)16(24-3)10-14(13)19-18-12(6-7-22(2)20(11)18)8-17(25-4)21(19)26-5/h8-11,20,23H,6-7H2,1-5H3/t11-,20?/m0/s1
InChIKey
JHLYGQYHVGZSJN-ZOZMEPSFSA-N
Compound name
(7S)-1,2,10-trimethoxy-6,7-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.17834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18562 187.1
[M+Na]+ 378.16756 195.9
[M-H]- 354.17106 190.1
[M+NH4]+ 373.21216 202.1
[M+K]+ 394.14150 191.8
[M+H-H2O]+ 338.17560 178.3
[M+HCOO]- 400.17654 199.7
[M+CH3COO]- 414.19219 220.9
[M+Na-2H]- 376.15301 189.4
[M]+ 355.17779 192.1
[M]- 355.17889 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.