CID 6878470

497921-83-2

Structural Information

Molecular Formula
C19H21N5OS
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C19H21N5OS/c1-4-25-17-7-5-6-15(12-17)18-21-22-19(26)24(18)20-13-14-8-10-16(11-9-14)23(2)3/h5-13H,4H2,1-3H3,(H,22,26)/b20-13+
InChIKey
SGGXQPRIHPVFMS-DEDYPNTBSA-N
Compound name
4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.153946 187.6
[M+Na]+ 390.135888 196.4
[M-H]- 366.139394 195.7
[M+NH4]+ 385.180493 198.6
[M+K]+ 406.109828 189.9
[M+H-H2O]+ 350.143930 177.1
[M+HCOO]- 412.144871 206.6
[M+CH3COO]- 426.160521 197.8
[M+Na-2H]- 388.121336 187.8
[M]+ 367.14612142 191.8
[M]- 367.14721858 191.8
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.