CID 6864554

402503-48-4

Structural Information

Molecular Formula
C23H18N4O
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC(=NN2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H18N4O/c28-23(27-24-15-7-10-17-8-2-1-3-9-17)22-16-21(25-26-22)20-14-6-12-18-11-4-5-13-19(18)20/h1-16H,(H,25,26)(H,27,28)/b10-7+,24-15+
InChIKey
UPSVZYSVMCTKOG-XPIRNMDISA-N
Compound name
3-naphthalen-1-yl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.14807 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.155346 186.7
[M+Na]+ 389.137288 193.5
[M-H]- 365.140794 194.7
[M+NH4]+ 384.181893 197.7
[M+K]+ 405.111228 185.1
[M+H-H2O]+ 349.145330 175.4
[M+HCOO]- 411.146271 210.3
[M+CH3COO]- 425.161921 196.2
[M+Na-2H]- 387.122736 192.4
[M]+ 366.14752142 186.0
[M]- 366.14861858 186.0
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.