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]+ 305.12848 172.3
[M+Na]+ 327.11042 188.2
[M+NH4]+ 322.15502 180.5
[M+K]+ 343.08436 180.7
[M-H]- 303.11392 177.0
[M+Na-2H]- 325.09587 178.3
[M]+ 304.12065 176.3
[M]- 304.12175 176.3
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.