CID 16727639

Chembl226878

Structural Information

Molecular Formula
C29H33N3O
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNCCCC6=CC=CC=C6
InChI
InChI=1S/C29H33N3O/c33-28(32-30-12-6-9-20-7-2-1-3-8-20)27-16-25(24-10-4-5-11-26(24)31-27)29-17-21-13-22(18-29)15-23(14-21)19-29/h1-5,7-8,10-11,16,21-23,30H,6,9,12-15,17-19H2,(H,32,33)
InChIKey
YWFQNIDPLBKTQP-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N'-(3-phenylpropyl)quinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.26236 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.26964 192.5
[M+Na]+ 462.25158 190.3
[M-H]- 438.25508 191.3
[M+NH4]+ 457.29618 206.0
[M+K]+ 478.22552 183.6
[M+H-H2O]+ 422.25962 178.5
[M+HCOO]- 484.26056 196.2
[M+CH3COO]- 498.27621 195.8
[M+Na-2H]- 460.23703 201.7
[M]+ 439.26181 190.2
[M]- 439.26291 190.2
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.