CID 54676938

377061-64-8

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=C(C3=CC=CC4=C3N(C2=O)CCC4)O)C
InChI
InChI=1S/C21H20N2O3/c1-12-6-3-10-16(13(12)2)22-20(25)17-19(24)15-9-4-7-14-8-5-11-23(18(14)15)21(17)26/h3-4,6-7,9-10,24H,5,8,11H2,1-2H3,(H,22,25)
InChIKey
DHTWTPYFEAWZTN-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 182.8
[M+Na]+ 371.136618 190.8
[M-H]- 347.140124 188.1
[M+NH4]+ 366.181223 196.0
[M+K]+ 387.110558 185.1
[M+H-H2O]+ 331.144660 173.4
[M+HCOO]- 393.145601 199.1
[M+CH3COO]- 407.161251 192.5
[M+Na-2H]- 369.122066 186.4
[M]+ 348.14685142 183.2
[M]- 348.14794858 183.2
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

No patent data available for this compound.