CID 3054333

Brn 1008454

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CC1=CC2=C(C=C1)OC3=C(C2=O)C=NC4=CC=CC=C4N3C
InChI
InChI=1S/C18H14N2O2/c1-11-7-8-16-12(9-11)17(21)13-10-19-14-5-3-4-6-15(14)20(2)18(13)22-16/h3-10H,1-2H3
InChIKey
LXCFRHJGQKKFCC-UHFFFAOYSA-N
Compound name
2,6-dimethylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 166.0
[M+Na]+ 313.09475 177.9
[M-H]- 289.09825 172.9
[M+NH4]+ 308.13935 180.8
[M+K]+ 329.06869 177.1
[M+H-H2O]+ 273.10279 158.5
[M+HCOO]- 335.10373 183.6
[M+CH3COO]- 349.11938 178.2
[M+Na-2H]- 311.08020 174.9
[M]+ 290.10498 167.8
[M]- 290.10608 167.8
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.