CID 36072

32152-30-0

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CCCCC(C(=O)N1C2=CC=CC=C2C(=O)NC3=CC=CC=C31)C(=O)O
InChI
InChI=1S/C20H20N2O4/c1-2-3-8-14(20(25)26)19(24)22-16-11-6-4-9-13(16)18(23)21-15-10-5-7-12-17(15)22/h4-7,9-12,14H,2-3,8H2,1H3,(H,21,23)(H,25,26)
InChIKey
ZPEJKHIBRLJFRD-UHFFFAOYSA-N
Compound name
2-(6-oxo-5H-benzo[b][1,4]benzodiazepine-11-carbonyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 179.1
[M+Na]+ 375.13152 188.4
[M+NH4]+ 370.17612 183.5
[M+K]+ 391.10546 184.9
[M-H]- 351.13502 178.2
[M+Na-2H]- 373.11697 181.2
[M]+ 352.14175 179.9
[M]- 352.14285 179.9
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.