CID 389388

Nsc685454

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=NC2=C(O1)C3=CC=CC4=C3N(C2=O)CCC4
InChI
InChI=1S/C14H12N2O2/c1-8-15-11-13(18-8)10-6-2-4-9-5-3-7-16(12(9)10)14(11)17/h2,4,6H,3,5,7H2,1H3
InChIKey
ORWXUVUJOPUZFP-UHFFFAOYSA-N
Compound name
12-methyl-11-oxa-1,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14),12-pentaen-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 150.1
[M+Na]+ 263.07909 162.3
[M-H]- 239.08259 154.7
[M+NH4]+ 258.12369 169.4
[M+K]+ 279.05303 158.4
[M+H-H2O]+ 223.08713 142.4
[M+HCOO]- 285.08807 168.7
[M+CH3COO]- 299.10372 163.6
[M+Na-2H]- 261.06454 158.6
[M]+ 240.08932 154.5
[M]- 240.09042 154.5
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.