CID 3010117

N-benzhydryladamantan-1-amine

Structural Information

Molecular Formula
C23H27N
SMILES
C1C2CC3CC1CC(C2)(C3)NC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H27N/c1-3-7-20(8-4-1)22(21-9-5-2-6-10-21)24-23-14-17-11-18(15-23)13-19(12-17)16-23/h1-10,17-19,22,24H,11-16H2
InChIKey
OZXZEUBZEGBRPV-UHFFFAOYSA-N
Compound name
N-benzhydryladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

317.21436 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22164 170.2
[M+Na]+ 340.20358 169.1
[M-H]- 316.20708 170.4
[M+NH4]+ 335.24818 189.8
[M+K]+ 356.17752 163.1
[M+H-H2O]+ 300.21162 159.2
[M+HCOO]- 362.21256 176.7
[M+CH3COO]- 376.22821 176.3
[M+Na-2H]- 338.18903 179.5
[M]+ 317.21381 166.4
[M]- 317.21491 166.4
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.