CID 16727640

Chembl227433

Structural Information

Molecular Formula
C28H31N3O
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNCCC6=CC=CC=C6
InChI
InChI=1S/C28H31N3O/c32-27(31-29-11-10-19-6-2-1-3-7-19)26-15-24(23-8-4-5-9-25(23)30-26)28-16-20-12-21(17-28)14-22(13-20)18-28/h1-9,15,20-22,29H,10-14,16-18H2,(H,31,32)
InChIKey
BYNNWTVDAVWKJY-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N'-(2-phenylethyl)quinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.2467 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.25398 188.4
[M+Na]+ 448.23592 186.6
[M-H]- 424.23942 187.4
[M+NH4]+ 443.28052 202.5
[M+K]+ 464.20986 180.1
[M+H-H2O]+ 408.24396 174.5
[M+HCOO]- 470.24490 192.4
[M+CH3COO]- 484.26055 192.1
[M+Na-2H]- 446.22137 198.1
[M]+ 425.24615 185.9
[M]- 425.24725 185.9
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.