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]+ 331.31078 200.7
[M+Na]+ 353.29272 195.4
[M-H]- 329.29622 192.9
[M+NH4]+ 348.33732 217.3
[M+K]+ 369.26666 192.4
[M+H-H2O]+ 313.30076 184.8
[M+HCOO]- 375.30170 195.6
[M+CH3COO]- 389.31735 201.4
[M+Na-2H]- 351.27817 206.1
[M]+ 330.30295 205.7
[M]- 330.30405 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.