CID 3086799

(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6h)-one, 6-ethyl-2-methyl-

Structural Information

Molecular Formula
C19H16N2O2
SMILES
CCN1C2=CC=CC=C2N=CC3=C1OC4=C(C3=O)C=C(C=C4)C
InChI
InChI=1S/C19H16N2O2/c1-3-21-16-7-5-4-6-15(16)20-11-14-18(22)13-10-12(2)8-9-17(13)23-19(14)21/h4-11H,3H2,1-2H3
InChIKey
MLRAXCDICOZSAG-UHFFFAOYSA-N
Compound name
6-ethyl-2-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1212 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.128476 170.6
[M+Na]+ 327.110418 182.1
[M-H]- 303.113924 177.3
[M+NH4]+ 322.155023 184.8
[M+K]+ 343.084358 181.0
[M+H-H2O]+ 287.118460 162.9
[M+HCOO]- 349.119401 187.8
[M+CH3COO]- 363.135051 182.4
[M+Na-2H]- 325.095866 178.9
[M]+ 304.12065142 172.7
[M]- 304.12174858 172.7
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.