CID 453285

133626-77-4

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CCN1C2=C(C=C(C=C2)C(=O)O)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C16H15N3O3/c1-3-19-12-7-6-10(16(21)22)9-13(12)18(2)15(20)11-5-4-8-17-14(11)19/h4-9H,3H2,1-2H3,(H,21,22)
InChIKey
PXDJPHPFHABUBU-UHFFFAOYSA-N
Compound name
11-ethyl-6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.11133 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.0
[M+Na]+ 320.10055 176.5
[M-H]- 296.10405 169.4
[M+NH4]+ 315.14515 179.6
[M+K]+ 336.07449 176.2
[M+H-H2O]+ 280.10859 158.7
[M+HCOO]- 342.10953 181.7
[M+CH3COO]- 356.12518 177.4
[M+Na-2H]- 318.08600 171.6
[M]+ 297.11078 166.5
[M]- 297.11188 166.5
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.