CID 9556367

Nsc698447

Structural Information

Molecular Formula
C28H21Cl2N5O2
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)Cl)NC3=CC=CC=C3C(=O)N/N=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H21Cl2N5O2/c29-21-13-9-19(10-14-21)17-31-34-27(36)23-5-1-3-7-25(23)33-26-8-4-2-6-24(26)28(37)35-32-18-20-11-15-22(30)16-12-20/h1-18,33H,(H,34,36)(H,35,37)/b31-17+,32-18+
InChIKey
SOUMGTVQSYVYIM-LTTYKRRRSA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-2-[2-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]anilino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.10724 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.11452 228.8
[M+Na]+ 552.09646 233.6
[M-H]- 528.09996 242.0
[M+NH4]+ 547.14106 234.6
[M+K]+ 568.07040 225.9
[M+H-H2O]+ 512.10450 217.1
[M+HCOO]- 574.10544 248.1
[M+CH3COO]- 588.12109 257.1
[M+Na-2H]- 550.08191 231.3
[M]+ 529.10669 232.5
[M]- 529.10779 232.5
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.