CID 6482273

Schembl1780503

Structural Information

Molecular Formula
C21H30N2
SMILES
C1C2CC3CC1CC(C2)C3NCCNC4CC5=CC=CC=C5C4
InChI
InChI=1S/C21H30N2/c1-2-4-17-13-20(12-16(17)3-1)22-5-6-23-21-18-8-14-7-15(10-18)11-19(21)9-14/h1-4,14-15,18-23H,5-13H2
InChIKey
XRTSMPSUPCHPDB-UHFFFAOYSA-N
Compound name
N'-(2-adamantyl)-N-(2,3-dihydro-1H-inden-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

310.2409 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 161.8
[M+Na]+ 333.23012 160.4
[M-H]- 309.23362 159.8
[M+NH4]+ 328.27472 183.0
[M+K]+ 349.20406 154.6
[M+H-H2O]+ 293.23816 153.8
[M+HCOO]- 355.23910 168.7
[M+CH3COO]- 369.25475 168.2
[M+Na-2H]- 331.21557 168.9
[M]+ 310.24035 158.6
[M]- 310.24145 158.6
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.