CID 3049621

Crl 40,471

Structural Information

Molecular Formula
C17H16N2O3
SMILES
C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CC(=O)NO
InChI
InChI=1S/C17H16N2O3/c20-16(18-22)11-17(21)19-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)19/h1-8,22H,9-11H2,(H,18,20)
InChIKey
IYZUIMUQZWBRLT-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-hydroxy-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

296.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 164.8
[M+Na]+ 319.10532 170.1
[M-H]- 295.10882 168.7
[M+NH4]+ 314.14992 178.9
[M+K]+ 335.07926 170.7
[M+H-H2O]+ 279.11336 158.5
[M+HCOO]- 341.11430 181.9
[M+CH3COO]- 355.12995 174.7
[M+Na-2H]- 317.09077 170.4
[M]+ 296.11555 161.2
[M]- 296.11665 161.2
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