CID 135679597

N'-((2-ho-1-naphthyl)methylene)-3-(4-meo-ph)-4-me-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C23H20N4O3
SMILES
CC1=C(NN=C1C2=CC=C(C=C2)OC)C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C23H20N4O3/c1-14-21(16-7-10-17(30-2)11-8-16)25-26-22(14)23(29)27-24-13-19-18-6-4-3-5-15(18)9-12-20(19)28/h3-13,28H,1-2H3,(H,25,26)(H,27,29)/b24-13+
InChIKey
WYYMTSPMPHWGKV-ZMOGYAJESA-N
Compound name
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(4-methoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15353 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 195.1
[M+Na]+ 423.14275 203.2
[M-H]- 399.14625 203.1
[M+NH4]+ 418.18735 204.7
[M+K]+ 439.11669 196.5
[M+H-H2O]+ 383.15079 184.5
[M+HCOO]- 445.15173 217.3
[M+CH3COO]- 459.16738 204.6
[M+Na-2H]- 421.12820 198.4
[M]+ 400.15298 197.5
[M]- 400.15408 197.5
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.