CID 5270993

N1-[2-[4-[2-(4-chlorophenyl)thiazol-4-yl]phenyl]ethyl]-n1,2-dimethyl-propane-1,2-diamine

Structural Information

Molecular Formula
C22H26ClN3S
SMILES
CC(C)(CN(C)CCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C22H26ClN3S/c1-22(2,24)15-26(3)13-12-16-4-6-17(7-5-16)20-14-27-21(25-20)18-8-10-19(23)11-9-18/h4-11,14H,12-13,15,24H2,1-3H3
InChIKey
JPAAGMKUMNKWGV-UHFFFAOYSA-N
Compound name
1-N-[2-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]ethyl]-1-N,2-dimethylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1536 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16088 198.4
[M+Na]+ 422.14282 205.5
[M-H]- 398.14632 207.8
[M+NH4]+ 417.18742 211.4
[M+K]+ 438.11676 198.3
[M+H-H2O]+ 382.15086 189.6
[M+HCOO]- 444.15180 211.7
[M+CH3COO]- 458.16745 227.5
[M+Na-2H]- 420.12827 197.1
[M]+ 399.15305 203.2
[M]- 399.15415 203.2
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.