CID 453265

133626-60-5

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CCOC(=O)N1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C16H15N3O3/c1-3-22-16(21)19-13-9-5-4-8-12(13)18(2)15(20)11-7-6-10-17-14(11)19/h4-10H,3H2,1-2H3
InChIKey
QRUSILKYLDHZEI-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepine-11-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.11133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 166.4
[M+Na]+ 320.10055 175.6
[M-H]- 296.10405 169.8
[M+NH4]+ 315.14515 179.5
[M+K]+ 336.07449 175.8
[M+H-H2O]+ 280.10859 157.7
[M+HCOO]- 342.10953 182.6
[M+CH3COO]- 356.12518 177.1
[M+Na-2H]- 318.08600 172.1
[M]+ 297.11078 167.0
[M]- 297.11188 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.