CID 1351693

N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C25H18N4O2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN=CC4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C25H18N4O2/c30-24-12-11-17-6-3-4-8-20(17)21(24)15-26-29-25(31)23-14-22(27-28-23)19-10-9-16-5-1-2-7-18(16)13-19/h1-15,30H,(H,27,28)(H,29,31)
InChIKey
XOXCTLAKMCIWCF-UHFFFAOYSA-N
Compound name
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

22
Patents

406.14297 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15025 198.5
[M+Na]+ 429.13219 214.6
[M+NH4]+ 424.17679 205.9
[M+K]+ 445.10613 206.9
[M-H]- 405.13569 205.7
[M+Na-2H]- 427.11764 208.4
[M]+ 406.14242 202.9
[M]- 406.14352 202.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe