CID 3054330

Brn 0994900

Structural Information

Molecular Formula
C16H10N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)NC4=CC=CC=C4N=C3
InChI
InChI=1S/C16H10N2O2/c19-15-10-5-1-4-8-14(10)20-16-11(15)9-17-12-6-2-3-7-13(12)18-16/h1-9,18H
InChIKey
CSKPIXHLJPICKM-UHFFFAOYSA-N
Compound name
6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.07422 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08150 155.8
[M+Na]+ 285.06344 166.5
[M-H]- 261.06694 161.0
[M+NH4]+ 280.10804 170.4
[M+K]+ 301.03738 165.0
[M+H-H2O]+ 245.07148 148.7
[M+HCOO]- 307.07242 172.7
[M+CH3COO]- 321.08807 167.6
[M+Na-2H]- 283.04889 166.8
[M]+ 262.07367 154.6
[M]- 262.07477 154.6
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.