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]+ 289.12328 168.6
[M+Na]+ 311.10522 174.9
[M-H]- 287.10872 172.5
[M+NH4]+ 306.14982 186.0
[M+K]+ 327.07916 170.4
[M+H-H2O]+ 271.11326 163.4
[M+HCOO]- 333.11420 182.5
[M+CH3COO]- 347.12985 211.6
[M+Na-2H]- 309.09067 168.7
[M]+ 288.11545 172.9
[M]- 288.11655 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.