CID 3054332

Brn 1002094

Structural Information

Molecular Formula
C17H12N2O2
SMILES
CN1C2=CC=CC=C2N=CC3=C1OC4=CC=CC=C4C3=O
InChI
InChI=1S/C17H12N2O2/c1-19-14-8-4-3-7-13(14)18-10-12-16(20)11-6-2-5-9-15(11)21-17(12)19/h2-10H,1H3
InChIKey
ZUCZKQGHEWMBNV-UHFFFAOYSA-N
Compound name
6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08987 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09715 163.1
[M+Na]+ 299.07909 179.1
[M+NH4]+ 294.12369 171.6
[M+K]+ 315.05303 171.9
[M-H]- 275.08259 167.8
[M+Na-2H]- 297.06454 169.9
[M]+ 276.08932 167.1
[M]- 276.09042 167.1
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.