CID 15346094

Schembl7535610

Structural Information

Molecular Formula
C19H21NO4
SMILES
CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC
InChI
InChI=1S/C19H21NO4/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(20-23-4)19(21)22-3/h5-11H,12H2,1-4H3/b20-18+
InChIKey
WNPSUZXQGSLQCF-CZIZESTLSA-N
Compound name
methyl (2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

327.14706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.154336 177.1
[M+Na]+ 350.136278 183.6
[M-H]- 326.139784 185.3
[M+NH4]+ 345.180883 191.5
[M+K]+ 366.110218 181.8
[M+H-H2O]+ 310.144320 168.2
[M+HCOO]- 372.145261 201.6
[M+CH3COO]- 386.160911 214.9
[M+Na-2H]- 348.121726 178.9
[M]+ 327.14651142 183.2
[M]- 327.14760858 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

patents stripe