CID 16727636

Chembl223111

Structural Information

Molecular Formula
C26H31N3O
SMILES
C=CCN(CC=C)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C26H31N3O/c1-3-9-29(10-4-2)28-25(30)24-14-22(21-7-5-6-8-23(21)27-24)26-15-18-11-19(16-26)13-20(12-18)17-26/h3-8,14,18-20H,1-2,9-13,15-17H2,(H,28,30)
InChIKey
KCEPHOANTXSLKC-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N',N'-bis(prop-2-enyl)quinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.2467 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.25398 191.2
[M+Na]+ 424.23592 189.5
[M-H]- 400.23942 188.1
[M+NH4]+ 419.28052 207.3
[M+K]+ 440.20986 183.7
[M+H-H2O]+ 384.24396 179.1
[M+HCOO]- 446.24490 195.0
[M+CH3COO]- 460.26055 195.1
[M+Na-2H]- 422.22137 198.4
[M]+ 401.24615 190.1
[M]- 401.24725 190.1
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

No patent data available for this compound.