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

647
Patents

296.1161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 166.5
[M+Na]+ 319.10532 175.2
[M-H]- 295.10882 172.5
[M+NH4]+ 314.14992 182.4
[M+K]+ 335.07926 170.6
[M+H-H2O]+ 279.11336 158.4
[M+HCOO]- 341.11430 189.9
[M+CH3COO]- 355.12995 202.5
[M+Na-2H]- 317.09077 171.3
[M]+ 296.11555 169.6
[M]- 296.11665 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe