CID 16076758

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

Structural Information

Molecular Formula
C21H34N2O
SMILES
CCOC1=CC=CC=C1CNCCN[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C
InChI
InChI=1S/C21H34N2O/c1-5-24-20-9-7-6-8-16(20)14-22-10-11-23-19-13-17-12-18(15(19)2)21(17,3)4/h6-9,15,17-19,22-23H,5,10-14H2,1-4H3/t15-,17+,18-,19-/m1/s1
InChIKey
JLFTVGAEXQYROO-QXCFHYIPSA-N
Compound name
N-[(2-ethoxyphenyl)methyl]-N'-[(1R,2R,3R,5S)-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

330.26712 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.27440 194.6
[M+Na]+ 353.25634 196.5
[M-H]- 329.25984 195.4
[M+NH4]+ 348.30094 207.8
[M+K]+ 369.23028 195.7
[M+H-H2O]+ 313.26438 182.3
[M+HCOO]- 375.26532 207.1
[M+CH3COO]- 389.28097 225.6
[M+Na-2H]- 351.24179 199.5
[M]+ 330.26657 206.7
[M]- 330.26767 206.7
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.