CID 382214

Nsc669672

Structural Information

Molecular Formula
C21H30N2O
SMILES
CC(C1=CC=CC=C1)NC(CC23CC4CC(C2)CC(C4)C3)C(=O)N
InChI
InChI=1S/C21H30N2O/c1-14(18-5-3-2-4-6-18)23-19(20(22)24)13-21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,14-17,19,23H,7-13H2,1H3,(H2,22,24)
InChIKey
QPOBRHWTGGAIQD-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)-2-(1-phenylethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 178.1
[M+Na]+ 349.22502 175.3
[M-H]- 325.22852 174.1
[M+NH4]+ 344.26962 197.1
[M+K]+ 365.19896 171.5
[M+H-H2O]+ 309.23306 169.9
[M+HCOO]- 371.23400 182.3
[M+CH3COO]- 385.24965 182.9
[M+Na-2H]- 347.21047 184.1
[M]+ 326.23525 174.5
[M]- 326.23635 174.5
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.