CID 16447983

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

Structural Information

Molecular Formula
C19H22N6OS
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C19H22N6OS/c1-4-26-17-11-7-15(8-12-17)18-21-22-19(27)25(18)23-20-13-14-5-9-16(10-6-14)24(2)3/h5-13,23H,4H2,1-3H3,(H,22,27)/b20-13+
InChIKey
FPAVIGJNSUKEHY-DEDYPNTBSA-N
Compound name
4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1576 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16488 189.7
[M+Na]+ 405.14682 201.7
[M+NH4]+ 400.19142 195.7
[M+K]+ 421.12076 194.4
[M-H]- 381.15032 195.4
[M+Na-2H]- 403.13227 198.2
[M]+ 382.15705 193.2
[M]- 382.15815 193.2
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.