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]+ 297.123376 164.8
[M+Na]+ 319.105318 170.1
[M-H]- 295.108824 168.7
[M+NH4]+ 314.149923 178.9
[M+K]+ 335.079258 170.7
[M+H-H2O]+ 279.113360 158.5
[M+HCOO]- 341.114301 181.9
[M+CH3COO]- 355.129951 174.7
[M+Na-2H]- 317.090766 170.4
[M]+ 296.11555142 161.2
[M]- 296.11664858 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