CID 24753719

Pci-34051

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₃

SMILES

COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO

InChI

InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)

InChIKey

AJRGHIGYPXNABY-UHFFFAOYSA-N

Compound name

N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 77
References: 603
Patents: 296.1161 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.123376	166.5
[M+Na]+	319.105318	175.2
[M-H]-	295.108824	172.5
[M+NH4]+	314.149923	182.4
[M+K]+	335.079258	170.6
[M+H-H2O]+	279.113360	158.4
[M+HCOO]-	341.114301	189.9
[M+CH3COO]-	355.129951	202.5
[M+Na-2H]-	317.090766	171.3
[M]+	296.11555142	169.6
[M]-	296.11664858	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe