CID 6869886

N'-[(e)-(3-bromophenyl)methylidene]-2-{[5-(4-bromophenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Structural Information

Molecular Formula
C23H17Br2N5OS
SMILES
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC(=CC=C3)Br)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H17Br2N5OS/c24-18-11-9-17(10-12-18)22-28-29-23(30(22)20-7-2-1-3-8-20)32-15-21(31)27-26-14-16-5-4-6-19(25)13-16/h1-14H,15H2,(H,27,31)/b26-14+
InChIKey
SLPIARLQVBHBPN-VULFUBBASA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.9521 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.95938 184.7
[M+Na]+ 591.94132 193.9
[M-H]- 567.94482 196.5
[M+NH4]+ 586.98592 193.8
[M+K]+ 607.91526 177.1
[M+H-H2O]+ 551.94936 190.2
[M+HCOO]- 613.95030 197.4
[M+CH3COO]- 627.96595 195.4
[M+Na-2H]- 589.92677 188.6
[M]+ 568.95155 220.7
[M]- 568.95265 220.7
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.