CID 16076324

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

Structural Information

Molecular Formula
C22H38N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNC34CC5CC(C3)CC(C5)C4)C
InChI
InChI=1S/C22H38N2/c1-21(2)19-4-3-18(20(21)10-19)14-23-5-6-24-22-11-15-7-16(12-22)9-17(8-15)13-22/h15-20,23-24H,3-14H2,1-2H3/t15?,16?,17?,18-,19-,20-,22?/m0/s1
InChIKey
VAQVGEAAYRLARW-SBPVTIBASA-N
Compound name
N'-(1-adamantyl)-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

330.3035 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.310776 200.7
[M+Na]+ 353.292718 195.4
[M-H]- 329.296224 192.9
[M+NH4]+ 348.337323 217.3
[M+K]+ 369.266658 192.4
[M+H-H2O]+ 313.300760 184.8
[M+HCOO]- 375.301701 195.6
[M+CH3COO]- 389.317351 201.4
[M+Na-2H]- 351.278166 206.1
[M]+ 330.30295142 205.7
[M]- 330.30404858 205.7
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.