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]+ 368.15395 187.6
[M+Na]+ 390.13589 196.4
[M-H]- 366.13939 195.7
[M+NH4]+ 385.18049 198.6
[M+K]+ 406.10983 189.9
[M+H-H2O]+ 350.14393 177.1
[M+HCOO]- 412.14487 206.6
[M+CH3COO]- 426.16052 197.8
[M+Na-2H]- 388.12134 187.8
[M]+ 367.14612 191.8
[M]- 367.14722 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.