CID 394848

Nsc698807

Structural Information

Molecular Formula
C22H20N2O2
SMILES
CC(=CCC1(C(=O)C2=CC=CN2C3=C(O1)C=CC=N3)C4=CC=CC=C4)C
InChI
InChI=1S/C22H20N2O2/c1-16(2)12-13-22(17-8-4-3-5-9-17)20(25)18-10-7-15-24(18)21-19(26-22)11-6-14-23-21/h3-12,14-15H,13H2,1-2H3
InChIKey
WROSRQWLSKJVPB-UHFFFAOYSA-N
Compound name
8-(3-methylbut-2-enyl)-8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.15247 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15975 184.1
[M+Na]+ 367.14169 192.3
[M-H]- 343.14519 191.9
[M+NH4]+ 362.18629 198.2
[M+K]+ 383.11563 190.0
[M+H-H2O]+ 327.14973 175.3
[M+HCOO]- 389.15067 200.4
[M+CH3COO]- 403.16632 194.2
[M+Na-2H]- 365.12714 187.4
[M]+ 344.15192 183.3
[M]- 344.15302 183.3
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.