CID 135485994

497920-23-7

Structural Information

Molecular Formula
C20H23N5O2S
SMILES
CCN(CC)C1=CC(=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC)O
InChI
InChI=1S/C20H23N5O2S/c1-4-24(5-2)15-11-10-14(17(26)12-15)13-21-25-19(22-23-20(25)28)16-8-6-7-9-18(16)27-3/h6-13,26H,4-5H2,1-3H3,(H,23,28)/b21-13+
InChIKey
FPETXKMUZIUTKS-FYJGNVAPSA-N
Compound name
4-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.15726 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16454 195.0
[M+Na]+ 420.14648 203.4
[M-H]- 396.14998 202.0
[M+NH4]+ 415.19108 204.3
[M+K]+ 436.12042 196.6
[M+H-H2O]+ 380.15452 184.8
[M+HCOO]- 442.15546 212.4
[M+CH3COO]- 456.17111 226.0
[M+Na-2H]- 418.13193 194.0
[M]+ 397.15671 199.5
[M]- 397.15781 199.5
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.