CID 16076630

N-[2-(2,4-dichlorophenyl)ethyl]-n'-[(1s,2s,3s,5r)-2,6,6-trimethylnorpinan-3-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C20H30Cl2N2
SMILES
C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1NCCNCCC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H30Cl2N2/c1-13-17-10-15(20(17,2)3)11-19(13)24-9-8-23-7-6-14-4-5-16(21)12-18(14)22/h4-5,12-13,15,17,19,23-24H,6-11H2,1-3H3/t13-,15+,17-,19-/m0/s1
InChIKey
XZNFUWDQEADEJG-PZFZOXMESA-N
Compound name
N-[2-(2,4-dichlorophenyl)ethyl]-N'-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.17862 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18590 196.8
[M+Na]+ 391.16784 202.2
[M-H]- 367.17134 197.2
[M+NH4]+ 386.21244 210.6
[M+K]+ 407.14178 197.9
[M+H-H2O]+ 351.17588 187.4
[M+HCOO]- 413.17682 201.0
[M+CH3COO]- 427.19247 228.9
[M+Na-2H]- 389.15329 200.6
[M]+ 368.17807 210.9
[M]- 368.17917 210.9
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.