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]+ 317.17790 178.1
[M+Na]+ 339.15984 182.0
[M-H]- 315.16334 183.5
[M+NH4]+ 334.20444 192.5
[M+K]+ 355.13378 175.9
[M+H-H2O]+ 299.16788 170.2
[M+HCOO]- 361.16882 196.3
[M+CH3COO]- 375.18447 213.3
[M+Na-2H]- 337.14529 180.5
[M]+ 316.17007 179.0
[M]- 316.17117 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.