CID 20509359

145134-53-8

Structural Information

Molecular Formula
C17H19NO
SMILES
C1CC2=CC=CC=C2OC3=CC=CC=C3CCNC1
InChI
InChI=1S/C17H19NO/c1-3-9-16-14(6-1)8-5-12-18-13-11-15-7-2-4-10-17(15)19-16/h1-4,6-7,9-10,18H,5,8,11-13H2
InChIKey
UBCXAOBXKADZIV-UHFFFAOYSA-N
Compound name
2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 155.2
[M+Na]+ 276.135888 160.5
[M-H]- 252.139394 155.1
[M+NH4]+ 271.180493 167.7
[M+K]+ 292.109828 157.3
[M+H-H2O]+ 236.143930 150.4
[M+HCOO]- 298.144871 169.4
[M+CH3COO]- 312.160521 164.5
[M+Na-2H]- 274.121336 162.4
[M]+ 253.14612142 147.6
[M]- 253.14721858 147.6
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

patents stripe