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]+ 357.25365 170.2
[M+Na]+ 379.23559 164.8
[M-H]- 355.23909 159.1
[M+NH4]+ 374.28019 193.4
[M+K]+ 395.20953 157.8
[M+H-H2O]+ 339.24363 152.4
[M+HCOO]- 401.24457 160.7
[M+CH3COO]- 415.26022 170.5
[M+Na-2H]- 377.22104 180.6
[M]+ 356.24582 166.6
[M]- 356.24692 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.