CID 16076466

N-[2-(2,4-dichlorophenyl)ethyl]-n'-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C20H30Cl2N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCCC3=C(C=C(C=C3)Cl)Cl)C
InChI
InChI=1S/C20H30Cl2N2/c1-20(2)16-5-3-15(18(20)11-16)13-24-10-9-23-8-7-14-4-6-17(21)12-19(14)22/h4,6,12,15-16,18,23-24H,3,5,7-11,13H2,1-2H3/t15-,16-,18-/m0/s1
InChIKey
QCLMZVLBRNVNMI-BQFCYCMXSA-N
Compound name
N-[2-(2,4-dichlorophenyl)ethyl]-N'-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.17862 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18590 195.3
[M+Na]+ 391.16784 200.0
[M-H]- 367.17134 195.4
[M+NH4]+ 386.21244 208.8
[M+K]+ 407.14178 195.6
[M+H-H2O]+ 351.17588 185.7
[M+HCOO]- 413.17682 199.7
[M+CH3COO]- 427.19247 227.7
[M+Na-2H]- 389.15329 199.9
[M]+ 368.17807 209.1
[M]- 368.17917 209.1
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.