CID 205630

18392-95-5

Structural Information

Molecular Formula
C22H32N2O2
SMILES
C1C2CC3(CC1CC(C2)(C3)NC=O)C45CC6CC(C4)CC(C6)(C5)NC=O
InChI
InChI=1S/C22H32N2O2/c25-13-23-21-7-15-1-16(8-21)4-19(3-15,11-21)20-5-17-2-18(6-20)10-22(9-17,12-20)24-14-26/h13-18H,1-12H2,(H,23,25)(H,24,26)
InChIKey
YFCUUNGPURSDOC-UHFFFAOYSA-N
Compound name
N-[3-(3-formamido-1-adamantyl)-1-adamantyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.24637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.253646 170.2
[M+Na]+ 379.235588 164.8
[M-H]- 355.239094 159.1
[M+NH4]+ 374.280193 193.4
[M+K]+ 395.209528 157.8
[M+H-H2O]+ 339.243630 152.4
[M+HCOO]- 401.244571 160.7
[M+CH3COO]- 415.260221 170.5
[M+Na-2H]- 377.221036 180.6
[M]+ 356.24582142 166.6
[M]- 356.24691858 166.6
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.