CID 6478447

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

Structural Information

Molecular Formula
C21H30N2
SMILES
C1[C@@H]([C@H]1NCCNC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5
InChI
InChI=1S/C21H30N2/c1-2-4-18(5-3-1)19-11-20(19)22-6-7-23-21-12-15-8-16(13-21)10-17(9-15)14-21/h1-5,15-17,19-20,22-23H,6-14H2/t15?,16?,17?,19-,20+,21?/m1/s1
InChIKey
MHPWAKWAZLNYDK-QXVHMHJJSA-N
Compound name
N'-(1-adamantyl)-N-[(1S,2R)-2-phenylcyclopropyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.2409 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 162.5
[M+Na]+ 333.23012 163.9
[M-H]- 309.23362 163.2
[M+NH4]+ 328.27472 178.1
[M+K]+ 349.20406 158.4
[M+H-H2O]+ 293.23816 153.4
[M+HCOO]- 355.23910 170.0
[M+CH3COO]- 369.25475 169.1
[M+Na-2H]- 331.21557 172.5
[M]+ 310.24035 162.5
[M]- 310.24145 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.