CID 453267

133626-62-7

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CN1C2=CC=CC=C2N(C3=C(C1=O)C=CC=N3)CC(=O)O
InChI
InChI=1S/C15H13N3O3/c1-17-11-6-2-3-7-12(11)18(9-13(19)20)14-10(15(17)21)5-4-8-16-14/h2-8H,9H2,1H3,(H,19,20)
InChIKey
LAUVNIKSFKNPAZ-UHFFFAOYSA-N
Compound name
2-(6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-11-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0957 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10298 162.3
[M+Na]+ 306.08492 171.4
[M-H]- 282.08842 164.5
[M+NH4]+ 301.12952 175.1
[M+K]+ 322.05886 171.1
[M+H-H2O]+ 266.09296 154.0
[M+HCOO]- 328.09390 177.4
[M+CH3COO]- 342.10955 172.8
[M+Na-2H]- 304.07037 168.1
[M]+ 283.09515 161.1
[M]- 283.09625 161.1
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.