CID 214017

Brn 2758762

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CN(CCC1=C2C=CC3=C(C2=CC=C1)C(=C(C=C3)O)O)C#N
InChI
InChI=1S/C18H16N2O2/c1-20(11-19)10-9-12-3-2-4-15-14(12)7-5-13-6-8-16(21)18(22)17(13)15/h2-8,21-22H,9-10H2,1H3
InChIKey
FQKZQBLBMFEOMH-UHFFFAOYSA-N
Compound name
2-(5,6-dihydroxyphenanthren-1-yl)ethyl-methylcyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 171.4
[M+Na]+ 315.11042 185.4
[M+NH4]+ 310.15502 176.6
[M+K]+ 331.08436 174.3
[M-H]- 291.11392 167.9
[M+Na-2H]- 313.09587 175.1
[M]+ 292.12065 171.7
[M]- 292.12175 171.7
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.