CID 209297

Brn 1350068

Structural Information

Molecular Formula
C18H17NO
SMILES
C1CC2=CC=CC=C2C3CN(CC4=CC=CC1=C34)C=O
InChI
InChI=1S/C18H17NO/c20-12-19-10-15-6-3-5-14-9-8-13-4-1-2-7-16(13)17(11-19)18(14)15/h1-7,12,17H,8-11H2
InChIKey
RSFGKXJFJRYXMV-UHFFFAOYSA-N
Compound name
16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaene-16-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.131 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 159.7
[M+Na]+ 286.12022 166.6
[M-H]- 262.12372 164.8
[M+NH4]+ 281.16482 177.4
[M+K]+ 302.09416 164.2
[M+H-H2O]+ 246.12826 153.5
[M+HCOO]- 308.12920 175.3
[M+CH3COO]- 322.14485 170.5
[M+Na-2H]- 284.10567 167.0
[M]+ 263.13045 156.0
[M]- 263.13155 156.0
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.