CID 122383350

Isoeupolauramine

Structural Information

Molecular Formula
C16H12N2O2
SMILES
CN1C2=C(C3=CC=CC=C3C4=CN=CC(=C42)C1=O)OC
InChI
InChI=1S/C16H12N2O2/c1-18-14-13-11(7-17-8-12(13)16(18)19)9-5-3-4-6-10(9)15(14)20-2/h3-8H,1-2H3
InChIKey
MSFXCEGIBQJTAQ-UHFFFAOYSA-N
Compound name
8-methoxy-10-methyl-10,14-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

0
References

0
Patents

264.08987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 159.1
[M+Na]+ 287.079088 171.9
[M-H]- 263.082594 163.5
[M+NH4]+ 282.123693 178.9
[M+K]+ 303.053028 166.6
[M+H-H2O]+ 247.087130 151.1
[M+HCOO]- 309.088071 179.2
[M+CH3COO]- 323.103721 172.4
[M+Na-2H]- 285.064536 166.3
[M]+ 264.08932142 165.3
[M]- 264.09041858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.