CID 354520

Eupolauramine

Structural Information

Molecular Formula
C16H12N2O2
SMILES
CN1C2=C(C3=CC=CC=C3C4=NC=CC(=C24)C1=O)OC
InChI
InChI=1S/C16H12N2O2/c1-18-14-12-11(16(18)19)7-8-17-13(12)9-5-3-4-6-10(9)15(14)20-2/h3-8H,1-2H3
InChIKey
SPQOZEXGRPKDKS-UHFFFAOYSA-N
Compound name
8-methoxy-10-methyl-10,15-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.08987 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 159.1
[M+Na]+ 287.07909 171.9
[M-H]- 263.08259 163.5
[M+NH4]+ 282.12369 178.9
[M+K]+ 303.05303 166.6
[M+H-H2O]+ 247.08713 151.1
[M+HCOO]- 309.08807 179.2
[M+CH3COO]- 323.10372 172.4
[M+Na-2H]- 285.06454 166.3
[M]+ 264.08932 165.3
[M]- 264.09042 165.3
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.