CID 205576

Brn 3020817

Structural Information

Molecular Formula
C34H40N2O2
SMILES
C1C2CC3(CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4)C56CC7CC(C5)CC(C7)(C6)NC(=O)C8=CC=CC=C8
InChI
InChI=1S/C34H40N2O2/c37-29(27-7-3-1-4-8-27)35-33-17-23-11-24(18-33)14-31(13-23,21-33)32-15-25-12-26(16-32)20-34(19-25,22-32)36-30(38)28-9-5-2-6-10-28/h1-10,23-26H,11-22H2,(H,35,37)(H,36,38)
InChIKey
CLUZPVYSIONJGB-UHFFFAOYSA-N
Compound name
N-[3-(3-benzamido-1-adamantyl)-1-adamantyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.309 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.316276 185.4
[M+Na]+ 531.298218 176.2
[M-H]- 507.301724 177.8
[M+NH4]+ 526.342823 201.4
[M+K]+ 547.272158 169.6
[M+H-H2O]+ 491.306260 162.0
[M+HCOO]- 553.307201 173.3
[M+CH3COO]- 567.322851 183.0
[M+Na-2H]- 529.283666 192.8
[M]+ 508.30845142 178.8
[M]- 508.30954858 178.8
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.