CID 5270997

1,2-ethanediamine, n-[2-[4-[2-(4-chlorophenyl)-4-thiazolyl]phenyl]ethyl]-n,n'-dimethyl-

Structural Information

Molecular Formula
C21H24ClN3S
SMILES
CNCCN(C)CCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H24ClN3S/c1-23-12-14-25(2)13-11-16-3-5-17(6-4-16)20-15-26-21(24-20)18-7-9-19(22)10-8-18/h3-10,15,23H,11-14H2,1-2H3
InChIKey
OZACKIYUPKXFLT-UHFFFAOYSA-N
Compound name
N'-[2-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]ethyl]-N,N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.13794 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14522 192.7
[M+Na]+ 408.12716 200.0
[M-H]- 384.13066 202.4
[M+NH4]+ 403.17176 206.4
[M+K]+ 424.10110 192.6
[M+H-H2O]+ 368.13520 183.5
[M+HCOO]- 430.13614 208.4
[M+CH3COO]- 444.15179 202.8
[M+Na-2H]- 406.11261 191.9
[M]+ 385.13739 198.5
[M]- 385.13849 198.5
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.