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]+ 278.153946 163.5
[M+Na]+ 300.135888 169.8
[M-H]- 276.139394 169.8
[M+NH4]+ 295.180493 180.7
[M+K]+ 316.109828 168.1
[M+H-H2O]+ 260.143930 158.3
[M+HCOO]- 322.144871 184.0
[M+CH3COO]- 336.160521 174.6
[M+Na-2H]- 298.121336 169.5
[M]+ 277.14612142 160.4
[M]- 277.14721858 160.4
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.