CID 13047845

(2e)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one

Structural Information

Molecular Formula
C19H19NO
SMILES
CNCC/C=C/1\C2=CC=CC=C2CC(=O)C3=CC=CC=C31
InChI
InChI=1S/C19H19NO/c1-20-12-6-11-16-15-8-3-2-7-14(15)13-19(21)18-10-5-4-9-17(16)18/h2-5,7-11,20H,6,12-13H2,1H3/b16-11+
InChIKey
ANQZBOSTSBYMBP-LFIBNONCSA-N
Compound name
(2E)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

277.14667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15395 164.2
[M+Na]+ 300.13589 176.3
[M+NH4]+ 295.18049 172.7
[M+K]+ 316.10983 168.5
[M-H]- 276.13939 168.2
[M+Na-2H]- 298.12134 170.4
[M]+ 277.14612 167.1
[M]- 277.14722 167.1
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.