CID 9645769

2,4-dichloro-n-{2-[((2e)-2-{1-[3-(1h-tetraazol-1-yl)phenyl]ethylidene}hydrazino)carbonyl]phenyl}benzamide

Structural Information

Molecular Formula
C23H17Cl2N7O2
SMILES
C/C(=N\NC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)Cl)Cl)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C23H17Cl2N7O2/c1-14(15-5-4-6-17(11-15)32-13-26-30-31-32)28-29-23(34)19-7-2-3-8-21(19)27-22(33)18-10-9-16(24)12-20(18)25/h2-13H,1H3,(H,27,33)(H,29,34)/b28-14+
InChIKey
SXMJUZHGUDTPOA-CCVNUDIWSA-N
Compound name
2,4-dichloro-N-[2-[[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.0821 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.08938 211.2
[M+Na]+ 516.07132 225.7
[M+NH4]+ 511.11592 215.8
[M+K]+ 532.04526 219.9
[M-H]- 492.07482 217.4
[M+Na-2H]- 514.05677 221.4
[M]+ 493.08155 215.3
[M]- 493.08265 215.3
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.