CID 9554210

Brn 2161801

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC1=C(C=CC(=C1C)OC2=CC=CC=C2/C(=N/O)/C)NC(=O)C
InChI
InChI=1S/C18H20N2O3/c1-11-12(2)17(10-9-16(11)19-14(4)21)23-18-8-6-5-7-15(18)13(3)20-22/h5-10,22H,1-4H3,(H,19,21)/b20-13+
InChIKey
XUNWYITXYFCMAK-DEDYPNTBSA-N
Compound name
N-[4-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-2,3-dimethylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 174.0
[M+Na]+ 335.13662 180.7
[M-H]- 311.14012 181.3
[M+NH4]+ 330.18122 188.3
[M+K]+ 351.11056 177.7
[M+H-H2O]+ 295.14466 165.7
[M+HCOO]- 357.14560 198.1
[M+CH3COO]- 371.16125 213.9
[M+Na-2H]- 333.12207 175.4
[M]+ 312.14685 176.1
[M]- 312.14795 176.1
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.