CID 205606

Brn 2902920

Structural Information

Molecular Formula
C24H36N2O2
SMILES
CC(=O)NC12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)NC(=O)C
InChI
InChI=1S/C24H36N2O2/c1-15(27)25-23-9-17-3-18(10-23)6-21(5-17,13-23)22-7-19-4-20(8-22)12-24(11-19,14-22)26-16(2)28/h17-20H,3-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKey
BEEFDPOIIGHOLE-UHFFFAOYSA-N
Compound name
N-[3-(3-acetamido-1-adamantyl)-1-adamantyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.27768 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28496 181.6
[M+Na]+ 407.26690 174.5
[M-H]- 383.27040 169.6
[M+NH4]+ 402.31150 203.6
[M+K]+ 423.24084 168.4
[M+H-H2O]+ 367.27494 164.5
[M+HCOO]- 429.27588 169.2
[M+CH3COO]- 443.29153 180.6
[M+Na-2H]- 405.25235 189.0
[M]+ 384.27713 177.0
[M]- 384.27823 177.0
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.