CID 16076794

N-[2-(2-methoxyphenyl)ethyl]-n'-[(1r,2s,4r)-1,7,7-trimethylnorbornan-2-yl]ethane-1,2-diamine

Structural Information

Molecular Formula
C21H34N2O
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NCCNCCC3=CC=CC=C3OC
InChI
InChI=1S/C21H34N2O/c1-20(2)17-9-11-21(20,3)19(15-17)23-14-13-22-12-10-16-7-5-6-8-18(16)24-4/h5-8,17,19,22-23H,9-15H2,1-4H3/t17-,19+,21+/m1/s1
InChIKey
KIFATSATLSNRSP-LMNJBCLMSA-N
Compound name
N-[2-(2-methoxyphenyl)ethyl]-N'-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.26712 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.27440 181.0
[M+Na]+ 353.25634 186.1
[M-H]- 329.25984 186.4
[M+NH4]+ 348.30094 203.7
[M+K]+ 369.23028 181.2
[M+H-H2O]+ 313.26438 175.0
[M+HCOO]- 375.26532 202.0
[M+CH3COO]- 389.28097 217.1
[M+Na-2H]- 351.24179 182.9
[M]+ 330.26657 182.4
[M]- 330.26767 182.4
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.