CID 162345636

Ns00133089

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C=O)O
InChI
InChI=1S/C15H13NO2/c17-10-16-13-7-3-1-5-11(13)9-15(18)12-6-2-4-8-14(12)16/h1-8,10,15,18H,9H2
InChIKey
YDZLEFHJOYUQQH-UHFFFAOYSA-N
Compound name
5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.09464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 150.3
[M+Na]+ 262.083858 158.4
[M-H]- 238.087364 154.7
[M+NH4]+ 257.128463 167.4
[M+K]+ 278.057798 157.7
[M+H-H2O]+ 222.091900 144.9
[M+HCOO]- 284.092841 168.6
[M+CH3COO]- 298.108491 162.2
[M+Na-2H]- 260.069306 157.8
[M]+ 239.09409142 147.6
[M]- 239.09518858 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

No patent data available for this compound.