CID 504282

N,n'-bis-(-)-cis-myrtanylpropane-1,2-diamine

Structural Information

Molecular Formula
C23H42N2
SMILES
CC(CNC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C
InChI
InChI=1S/C23H42N2/c1-15(25-14-17-7-9-19-11-21(17)23(19,4)5)12-24-13-16-6-8-18-10-20(16)22(18,2)3/h15-21,24-25H,6-14H2,1-5H3/t15?,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey
LSCSHZGNGODMOE-HXZOEFROSA-N
Compound name
1-N,2-N-bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.3348 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.34208 231.4
[M+Na]+ 369.32402 227.9
[M-H]- 345.32752 227.2
[M+NH4]+ 364.36862 240.6
[M+K]+ 385.29796 228.8
[M+H-H2O]+ 329.33206 215.1
[M+HCOO]- 391.33300 229.4
[M+CH3COO]- 405.34865 231.8
[M+Na-2H]- 367.30947 231.2
[M]+ 346.33425 246.6
[M]- 346.33535 246.6
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.