CID 9612528

N'-(4-butoxybenzylidene)-4-chlorobenzohydrazide

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H19ClN2O2/c1-2-3-12-23-17-10-4-14(5-11-17)13-20-21-18(22)15-6-8-16(19)9-7-15/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-13+
InChIKey
SMVXTVPNSWQRRO-DEDYPNTBSA-N
Compound name
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1135 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12078 178.2
[M+Na]+ 353.10272 184.7
[M-H]- 329.10622 185.6
[M+NH4]+ 348.14732 192.9
[M+K]+ 369.07666 179.2
[M+H-H2O]+ 313.11076 169.9
[M+HCOO]- 375.11170 200.0
[M+CH3COO]- 389.12735 214.3
[M+Na-2H]- 351.08817 182.0
[M]+ 330.11295 182.8
[M]- 330.11405 182.8
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.