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]+ 349.15468 182.8
[M+Na]+ 371.13662 190.8
[M-H]- 347.14012 188.1
[M+NH4]+ 366.18122 196.0
[M+K]+ 387.11056 185.1
[M+H-H2O]+ 331.14466 173.4
[M+HCOO]- 393.14560 199.1
[M+CH3COO]- 407.16125 192.5
[M+Na-2H]- 369.12207 186.4
[M]+ 348.14685 183.2
[M]- 348.14795 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.