CID 60034

Brn 5982687

Structural Information

Molecular Formula
C21H27N3S2
SMILES
CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)C)NC2=CC=C(C=C2)C
InChI
InChI=1S/C21H27N3S2/c1-5-24(6-2)21(25)26-15-20(22-18-11-7-16(3)8-12-18)23-19-13-9-17(4)10-14-19/h7-14H,5-6,15H2,1-4H3,(H,22,23)
InChIKey
FWLCYOBOLHJMCL-UHFFFAOYSA-N
Compound name
[2-(4-methylanilino)-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.16464 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17192 192.3
[M+Na]+ 408.15386 196.0
[M-H]- 384.15736 199.9
[M+NH4]+ 403.19846 205.0
[M+K]+ 424.12780 189.6
[M+H-H2O]+ 368.16190 182.6
[M+HCOO]- 430.16284 206.1
[M+CH3COO]- 444.17849 230.7
[M+Na-2H]- 406.13931 190.5
[M]+ 385.16409 195.4
[M]- 385.16519 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.