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 170.6
[M+Na]+ 327.11042 182.1
[M-H]- 303.11392 177.3
[M+NH4]+ 322.15502 184.8
[M+K]+ 343.08436 181.0
[M+H-H2O]+ 287.11846 162.9
[M+HCOO]- 349.11940 187.8
[M+CH3COO]- 363.13505 182.4
[M+Na-2H]- 325.09587 178.9
[M]+ 304.12065 172.7
[M]- 304.12175 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.