CID 9659123

Methyl 4-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C18H17N3O4/c1-12-3-9-15(10-4-12)20-16(22)17(23)21-19-11-13-5-7-14(8-6-13)18(24)25-2/h3-11H,1-2H3,(H,20,22)(H,21,23)/b19-11+
InChIKey
DNDRMQUMSGCECX-YBFXNURJSA-N
Compound name
methyl 4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12192 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.129196 179.2
[M+Na]+ 362.111138 183.8
[M-H]- 338.114644 187.1
[M+NH4]+ 357.155743 191.9
[M+K]+ 378.085078 181.8
[M+H-H2O]+ 322.119180 169.7
[M+HCOO]- 384.120121 205.3
[M+CH3COO]- 398.135771 218.6
[M+Na-2H]- 360.096586 181.8
[M]+ 339.12137142 180.7
[M]- 339.12246858 180.7
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.