CID 16727608

Chembl228011

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CC(=O)NNC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C22H25N3O2/c1-13(26)24-25-21(27)20-9-18(17-4-2-3-5-19(17)23-20)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-5,9,14-16H,6-8,10-12H2,1H3,(H,24,26)(H,25,27)
InChIKey
ZAFMLQFQBGCMGZ-UHFFFAOYSA-N
Compound name
N'-acetyl-4-(1-adamantyl)quinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

363.19467 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 177.2
[M+Na]+ 386.18389 176.9
[M-H]- 362.18739 174.0
[M+NH4]+ 381.22849 194.6
[M+K]+ 402.15783 172.6
[M+H-H2O]+ 346.19193 166.6
[M+HCOO]- 408.19287 181.3
[M+CH3COO]- 422.20852 182.3
[M+Na-2H]- 384.16934 186.9
[M]+ 363.19412 175.7
[M]- 363.19522 175.7
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

No patent data available for this compound.