CID 6446900

67877-76-3

Structural Information

Molecular Formula
C18H20N2O
SMILES
C/C=C/CN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24
InChI
InChI=1S/C18H20N2O/c1-2-3-11-19-12-10-14-13-6-4-5-7-15(13)20-17(21)9-8-16(19)18(14)20/h2-7,16H,8-12H2,1H3/b3-2+
InChIKey
YTYCXYBVRMVDTN-NSCUHMNNSA-N
Compound name
6-[(E)-but-2-enyl]-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 167.1
[M+Na]+ 303.146778 175.6
[M-H]- 279.150284 169.4
[M+NH4]+ 298.191383 185.7
[M+K]+ 319.120718 168.9
[M+H-H2O]+ 263.154820 158.5
[M+HCOO]- 325.155761 182.2
[M+CH3COO]- 339.171411 177.7
[M+Na-2H]- 301.132226 170.8
[M]+ 280.15701142 166.9
[M]- 280.15810858 166.9
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.