CID 5749538

3-bromo-n'-(4-(diethylamino)benzylidene)benzohydrazide

Structural Information

Molecular Formula
C18H20BrN3O
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C18H20BrN3O/c1-3-22(4-2)17-10-8-14(9-11-17)13-20-21-18(23)15-6-5-7-16(19)12-15/h5-13H,3-4H2,1-2H3,(H,21,23)/b20-13+
InChIKey
CZMXSJXKNOLWMA-DEDYPNTBSA-N
Compound name
3-bromo-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.07898 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.086256 180.8
[M+Na]+ 396.068198 188.3
[M-H]- 372.071704 191.5
[M+NH4]+ 391.112803 196.7
[M+K]+ 412.042138 176.5
[M+H-H2O]+ 356.076240 176.5
[M+HCOO]- 418.077181 205.2
[M+CH3COO]- 432.092831 224.5
[M+Na-2H]- 394.053646 185.4
[M]+ 373.07843142 200.3
[M]- 373.07952858 200.3
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.