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]+ 340.12920 179.2
[M+Na]+ 362.11114 183.8
[M-H]- 338.11464 187.1
[M+NH4]+ 357.15574 191.9
[M+K]+ 378.08508 181.8
[M+H-H2O]+ 322.11918 169.7
[M+HCOO]- 384.12012 205.3
[M+CH3COO]- 398.13577 218.6
[M+Na-2H]- 360.09659 181.8
[M]+ 339.12137 180.7
[M]- 339.12247 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.