CID 5918036

Nsc642608

Structural Information

Molecular Formula
C26H25Cl2N3O3
SMILES
CC(C)(C)NNC(=O)/C(=C\C1=CC=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H25Cl2N3O3/c1-26(2,3)31-30-25(33)23(29-24(32)18-7-5-4-6-8-18)15-17-9-11-19(12-10-17)34-20-13-14-21(27)22(28)16-20/h4-16,31H,1-3H3,(H,29,32)(H,30,33)/b23-15+
InChIKey
VEVTZLKZIRAXMS-HZHRSRAPSA-N
Compound name
N-[(E)-3-(2-tert-butylhydrazinyl)-1-[4-(3,4-dichlorophenoxy)phenyl]-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.1273 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.13458 218.9
[M+Na]+ 520.11652 223.1
[M-H]- 496.12002 227.3
[M+NH4]+ 515.16112 226.0
[M+K]+ 536.09046 216.4
[M+H-H2O]+ 480.12456 210.3
[M+HCOO]- 542.12550 230.8
[M+CH3COO]- 556.14115 243.7
[M+Na-2H]- 518.10197 219.0
[M]+ 497.12675 222.7
[M]- 497.12785 222.7
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.