CID 5353833

58534-46-6

Structural Information

Molecular Formula
C18H19NO
SMILES
CNCC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31
InChI
InChI=1S/C18H19NO/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10-
InChIKey
HVKCEFHNSNZIHO-YBEGLDIGSA-N
Compound name
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

647
Patents

265.14667 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 159.8
[M+Na]+ 288.13589 165.6
[M-H]- 264.13939 166.5
[M+NH4]+ 283.18049 176.1
[M+K]+ 304.10983 165.3
[M+H-H2O]+ 248.14393 154.5
[M+HCOO]- 310.14487 179.7
[M+CH3COO]- 324.16052 171.1
[M+Na-2H]- 286.12134 167.7
[M]+ 265.14612 157.3
[M]- 265.14722 157.3
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.