CID 32123

23892-44-6

Structural Information

Molecular Formula
C19H25ClN2
SMILES
CC(C)CNCCNC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H25ClN2/c1-15(2)14-21-12-13-22-19(16-6-4-3-5-7-16)17-8-10-18(20)11-9-17/h3-11,15,19,21-22H,12-14H2,1-2H3
InChIKey
IFFVEZJDUSAAOB-UHFFFAOYSA-N
Compound name
N'-[(4-chlorophenyl)-phenylmethyl]-N-(2-methylpropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17062 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.177896 178.1
[M+Na]+ 339.159838 182.0
[M-H]- 315.163344 183.5
[M+NH4]+ 334.204443 192.5
[M+K]+ 355.133778 175.9
[M+H-H2O]+ 299.167880 170.2
[M+HCOO]- 361.168821 196.3
[M+CH3COO]- 375.184471 213.3
[M+Na-2H]- 337.145286 180.5
[M]+ 316.17007142 179.0
[M]- 316.17116858 179.0
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.