CID 5930707

Nsc635415

Structural Information

Molecular Formula
C18H14ClN3O4
SMILES
COC(=O)/C(=N\NC(=O)C1=CC=CC=C1O)/C(C#N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H14ClN3O4/c1-26-18(25)16(14(10-20)11-6-8-12(19)9-7-11)21-22-17(24)13-4-2-3-5-15(13)23/h2-9,14,23H,1H3,(H,22,24)/b21-16-
InChIKey
RUMLQRVPIXXRHO-PGMHBOJBSA-N
Compound name
methyl (2Z)-3-(4-chlorophenyl)-3-cyano-2-[(2-hydroxybenzoyl)hydrazinylidene]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0673 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07458 191.8
[M+Na]+ 394.05652 199.3
[M-H]- 370.06002 196.7
[M+NH4]+ 389.10112 202.1
[M+K]+ 410.03046 194.2
[M+H-H2O]+ 354.06456 177.7
[M+HCOO]- 416.06550 206.3
[M+CH3COO]- 430.08115 227.1
[M+Na-2H]- 392.04197 191.0
[M]+ 371.06675 189.0
[M]- 371.06785 189.0
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.