CID 3071720

N,n'-(2-hydroxy-1,3-propanediyl)bistricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide

Structural Information

Molecular Formula
C25H38N2O3
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NCC(CNC(=O)C45CC6CC(C4)CC(C6)C5)O
InChI
InChI=1S/C25H38N2O3/c28-21(13-26-22(29)24-7-15-1-16(8-24)3-17(2-15)9-24)14-27-23(30)25-10-18-4-19(11-25)6-20(5-18)12-25/h15-21,28H,1-14H2,(H,26,29)(H,27,30)
InChIKey
OCWNJKXTVWVEMV-UHFFFAOYSA-N
Compound name
N-[3-(adamantane-1-carbonylamino)-2-hydroxypropyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.28824 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.29552 182.3
[M+Na]+ 437.27746 170.8
[M-H]- 413.28096 168.1
[M+NH4]+ 432.32206 199.2
[M+K]+ 453.25140 166.5
[M+H-H2O]+ 397.28550 168.9
[M+HCOO]- 459.28644 167.6
[M+CH3COO]- 473.30209 179.5
[M+Na-2H]- 435.26291 188.3
[M]+ 414.28769 176.6
[M]- 414.28879 176.6
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.