CID 5920198

2-methoxy-1-naphthaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]hydrazone

Structural Information

Molecular Formula
C22H21N5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=C(C=CC4=CC=CC=C43)OC
InChI
InChI=1S/C22H21N5O2S/c1-3-29-17-11-8-16(9-12-17)21-24-25-22(30)27(21)26-23-14-19-18-7-5-4-6-15(18)10-13-20(19)28-2/h4-14,26H,3H2,1-2H3,(H,25,30)/b23-14+
InChIKey
DRTWTBSDFXLNPL-OEAKJJBVSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1416 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14888 198.7
[M+Na]+ 442.13082 209.0
[M-H]- 418.13432 206.7
[M+NH4]+ 437.17542 208.0
[M+K]+ 458.10476 200.5
[M+H-H2O]+ 402.13886 188.2
[M+HCOO]- 464.13980 217.5
[M+CH3COO]- 478.15545 208.3
[M+Na-2H]- 440.11627 201.9
[M]+ 419.14105 204.6
[M]- 419.14215 204.6
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.