CID 32146

Brn 2867152

Structural Information

Molecular Formula
C19H25ClN2
SMILES
CCN(CC)CCNC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H25ClN2/c1-3-22(4-2)15-14-21-19(16-8-6-5-7-9-16)17-10-12-18(20)13-11-17/h5-13,19,21H,3-4,14-15H2,1-2H3
InChIKey
OHPDZWXSAPXYSM-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-phenylmethyl]-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17062 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.177896 178.5
[M+Na]+ 339.159838 182.8
[M-H]- 315.163344 185.2
[M+NH4]+ 334.204443 193.5
[M+K]+ 355.133778 177.5
[M+H-H2O]+ 299.167880 170.1
[M+HCOO]- 361.168821 198.1
[M+CH3COO]- 375.184471 215.8
[M+Na-2H]- 337.145286 181.2
[M]+ 316.17007142 181.2
[M]- 316.17116858 181.2
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.