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

literature stripe

Patent stripe

patents stripe