CID 25034551

Ser-601

Structural Information

Molecular Formula
C28H38N2O2
SMILES
CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)C(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)
InChIKey
KUMKLUDNETVLDS-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

33
Patents

434.29333 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.300606 206.8
[M+Na]+ 457.282548 205.7
[M-H]- 433.286054 202.7
[M+NH4]+ 452.327153 221.7
[M+K]+ 473.256488 200.0
[M+H-H2O]+ 417.290590 195.0
[M+HCOO]- 479.291531 207.0
[M+CH3COO]- 493.307181 209.7
[M+Na-2H]- 455.267996 210.4
[M]+ 434.29278142 207.7
[M]- 434.29387858 207.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe