CID 5273602

4-(2-adamantyl)-n-hexyl-quinoline-2-carboxamide

Structural Information

Molecular Formula
C26H34N2O
SMILES
CCCCCCNC(=O)C1=NC2=CC=CC=C2C(=C1)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C26H34N2O/c1-2-3-4-7-10-27-26(29)24-16-22(21-8-5-6-9-23(21)28-24)25-19-12-17-11-18(14-19)15-20(25)13-17/h5-6,8-9,16-20,25H,2-4,7,10-15H2,1H3,(H,27,29)
InChIKey
VWKHDGKNLPHOLD-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)-N-hexylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.26712 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.27440 192.0
[M+Na]+ 413.25634 190.1
[M-H]- 389.25984 188.0
[M+NH4]+ 408.30094 206.8
[M+K]+ 429.23028 184.0
[M+H-H2O]+ 373.26438 180.7
[M+HCOO]- 435.26532 194.2
[M+CH3COO]- 449.28097 195.6
[M+Na-2H]- 411.24179 197.5
[M]+ 390.26657 191.6
[M]- 390.26767 191.6
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.