CID 3062348

Nm-577

Structural Information

Molecular Formula
C19H25ClN2S
SMILES
CN(C)CCCN(CCSC1=CC=C(C=C1)Cl)C2=CC=CC=C2
InChI
InChI=1S/C19H25ClN2S/c1-21(2)13-6-14-22(18-7-4-3-5-8-18)15-16-23-19-11-9-17(20)10-12-19/h3-5,7-12H,6,13-16H2,1-2H3
InChIKey
VZWGUEZZICZWQJ-UHFFFAOYSA-N
Compound name
N'-[2-(4-chlorophenyl)sulfanylethyl]-N,N-dimethyl-N'-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1427 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14998 183.3
[M+Na]+ 371.13192 196.7
[M+NH4]+ 366.17652 193.1
[M+K]+ 387.10586 184.8
[M-H]- 347.13542 190.5
[M+Na-2H]- 369.11737 192.8
[M]+ 348.14215 188.2
[M]- 348.14325 188.2
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.