CID 16076483

N'-(2-adamantyl)-n-[(1s,2r)-2-phenylcyclopropyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C21H30N2
SMILES
C1[C@@H]([C@H]1NCCNC2C3CC4CC(C3)CC2C4)C5=CC=CC=C5
InChI
InChI=1S/C21H30N2/c1-2-4-16(5-3-1)19-13-20(19)22-6-7-23-21-17-9-14-8-15(11-17)12-18(21)10-14/h1-5,14-15,17-23H,6-13H2/t14?,15?,17?,18?,19-,20+,21?/m1/s1
InChIKey
AZHJFXWZXIPIDC-WKLRWULJSA-N
Compound name
N'-(2-adamantyl)-N-[(1S,2R)-2-phenylcyclopropyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2409 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 160.8
[M+Na]+ 333.23012 162.1
[M-H]- 309.23362 161.6
[M+NH4]+ 328.27472 174.9
[M+K]+ 349.20406 156.0
[M+H-H2O]+ 293.23816 152.3
[M+HCOO]- 355.23910 168.8
[M+CH3COO]- 369.25475 167.5
[M+Na-2H]- 331.21557 169.7
[M]+ 310.24035 160.8
[M]- 310.24145 160.8
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.