CID 3080207

127654-17-5

Structural Information

Molecular Formula
C19H20N2O3
SMILES
C1=CC=C2C(=C1)C(C3=C(C=NC=C3)C(=O)N2)CCCCCC(=O)O
InChI
InChI=1S/C19H20N2O3/c22-18(23)9-3-1-2-6-13-14-10-11-20-12-16(14)19(24)21-17-8-5-4-7-15(13)17/h4-5,7-8,10-13H,1-3,6,9H2,(H,21,24)(H,22,23)
InChIKey
GIOMQQZOMJZNMH-UHFFFAOYSA-N
Compound name
6-(5-oxo-6,11-dihydropyrido[3,4-c][1]benzazepin-11-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

324.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 174.6
[M+Na]+ 347.13662 185.1
[M+NH4]+ 342.18122 180.1
[M+K]+ 363.11056 179.8
[M-H]- 323.14012 174.8
[M+Na-2H]- 345.12207 177.9
[M]+ 324.14685 176.0
[M]- 324.14795 176.0
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

patents stripe