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]+ 277.097146 160.8
[M+Na]+ 299.079088 172.3
[M-H]- 275.082594 167.4
[M+NH4]+ 294.123693 175.8
[M+K]+ 315.053028 171.5
[M+H-H2O]+ 259.087130 153.3
[M+HCOO]- 321.088071 178.7
[M+CH3COO]- 335.103721 173.1
[M+Na-2H]- 297.064536 170.9
[M]+ 276.08932142 161.9
[M]- 276.09041858 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.