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 160.8
[M+Na]+ 299.07909 172.3
[M-H]- 275.08259 167.4
[M+NH4]+ 294.12369 175.8
[M+K]+ 315.05303 171.5
[M+H-H2O]+ 259.08713 153.3
[M+HCOO]- 321.08807 178.7
[M+CH3COO]- 335.10372 173.1
[M+Na-2H]- 297.06454 170.9
[M]+ 276.08932 161.9
[M]- 276.09042 161.9
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.