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

4
Patents

324.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 175.0
[M+Na]+ 347.136618 180.9
[M-H]- 323.140124 176.1
[M+NH4]+ 342.181223 186.5
[M+K]+ 363.110558 179.3
[M+H-H2O]+ 307.144660 167.4
[M+HCOO]- 369.145601 188.6
[M+CH3COO]- 383.161251 206.5
[M+Na-2H]- 345.122066 179.0
[M]+ 324.14685142 172.4
[M]- 324.14794858 172.4
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