CID 1189220

2-(4-bromobenzoyl)-n-(3,4-dichlorophenyl)hydrazinecarboxamide

Structural Information

Molecular Formula
C14H10BrCl2N3O2
SMILES
C1=CC(=CC=C1C(=O)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C14H10BrCl2N3O2/c15-9-3-1-8(2-4-9)13(21)19-20-14(22)18-10-5-6-11(16)12(17)7-10/h1-7H,(H,19,21)(H2,18,20,22)
InChIKey
IUEJMQKWBCTMKH-UHFFFAOYSA-N
Compound name
1-[(4-bromobenzoyl)amino]-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.93335 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.94063 176.9
[M+Na]+ 423.92257 187.7
[M-H]- 399.92607 185.4
[M+NH4]+ 418.96717 192.2
[M+K]+ 439.89651 172.7
[M+H-H2O]+ 383.93061 175.6
[M+HCOO]- 445.93155 191.0
[M+CH3COO]- 459.94720 218.0
[M+Na-2H]- 421.90802 181.2
[M]+ 400.93280 196.6
[M]- 400.93390 196.6
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.