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 183.2
[M+Na]+ 371.13192 188.1
[M-H]- 347.13542 191.5
[M+NH4]+ 366.17652 198.3
[M+K]+ 387.10586 182.8
[M+H-H2O]+ 331.13996 174.6
[M+HCOO]- 393.14090 199.0
[M+CH3COO]- 407.15655 221.8
[M+Na-2H]- 369.11737 184.0
[M]+ 348.14215 189.8
[M]- 348.14325 189.8
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.