CID 43098080

(1-{[(3,4-dichlorophenyl)methyl]amino}-3-methylbutan-2-yl)dimethylamine

Structural Information

Molecular Formula
C14H22Cl2N2
SMILES
CC(C)C(CNCC1=CC(=C(C=C1)Cl)Cl)N(C)C
InChI
InChI=1S/C14H22Cl2N2/c1-10(2)14(18(3)4)9-17-8-11-5-6-12(15)13(16)7-11/h5-7,10,14,17H,8-9H2,1-4H3
InChIKey
IWSCGDKRPZIJCK-UHFFFAOYSA-N
Compound name
1-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.116 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.123276 168.6
[M+Na]+ 311.105218 174.9
[M-H]- 287.108724 172.5
[M+NH4]+ 306.149823 186.0
[M+K]+ 327.079158 170.4
[M+H-H2O]+ 271.113260 163.4
[M+HCOO]- 333.114201 182.5
[M+CH3COO]- 347.129851 211.6
[M+Na-2H]- 309.090666 168.7
[M]+ 288.11545142 172.9
[M]- 288.11654858 172.9
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.