CID 44721961

N'-[(e)-[1,1'-biphenyl]-4-ylmethylidene]-4,5-dihydro-1h-benzo[g]indazole-3-carbohydrazide

Structural Information

Molecular Formula
C25H20N4O
SMILES
C1CC2=C(NN=C2C3=CC=CC=C31)C(=O)N/N=C/C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H20N4O/c30-25(24-22-15-14-20-8-4-5-9-21(20)23(22)27-28-24)29-26-16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16H,14-15H2,(H,27,28)(H,29,30)/b26-16+
InChIKey
XXNCVCUNXQTDPN-WGOQTCKBSA-N
Compound name
N-[(E)-(4-phenylphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1637 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.17098 191.3
[M+Na]+ 415.15292 196.9
[M-H]- 391.15642 199.6
[M+NH4]+ 410.19752 201.9
[M+K]+ 431.12686 188.6
[M+H-H2O]+ 375.16096 179.7
[M+HCOO]- 437.16190 210.7
[M+CH3COO]- 451.17755 199.7
[M+Na-2H]- 413.13837 196.2
[M]+ 392.16315 188.3
[M]- 392.16425 188.3
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.