CID 49840374

N-methoxycarbonyl-n-nornuciferine

Structural Information

Molecular Formula
C20H21NO4
SMILES
COC1=C(C2=C3C(CC4=CC=CC=C42)N(CCC3=C1)C(=O)OC)OC
InChI
InChI=1S/C20H21NO4/c1-23-16-11-13-8-9-21(20(22)25-3)15-10-12-6-4-5-7-14(12)18(17(13)15)19(16)24-2/h4-7,11,15H,8-10H2,1-3H3
InChIKey
NZPPZYPCWOGFIQ-UHFFFAOYSA-N
Compound name
methyl 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 179.6
[M+Na]+ 362.13628 186.8
[M-H]- 338.13978 183.2
[M+NH4]+ 357.18088 195.1
[M+K]+ 378.11022 183.4
[M+H-H2O]+ 322.14432 170.4
[M+HCOO]- 384.14526 193.6
[M+CH3COO]- 398.16091 215.3
[M+Na-2H]- 360.12173 184.0
[M]+ 339.14651 183.3
[M]- 339.14761 183.3
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.