CID 16727550

Chembl227386

Structural Information

Molecular Formula
C23H27N3O
SMILES
CC/C=N/NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C23H27N3O/c1-2-7-24-26-22(27)21-11-19(18-5-3-4-6-20(18)25-21)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-7,11,15-17H,2,8-10,12-14H2,1H3,(H,26,27)/b24-7+
InChIKey
BHFQKUALRNOLTO-HCBMXOAHSA-N
Compound name
4-(1-adamantyl)-N-[(E)-propylideneamino]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.21542 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 178.4
[M+Na]+ 384.20464 178.4
[M-H]- 360.20814 176.2
[M+NH4]+ 379.24924 196.5
[M+K]+ 400.17858 173.1
[M+H-H2O]+ 344.21268 166.5
[M+HCOO]- 406.21362 184.4
[M+CH3COO]- 420.22927 183.9
[M+Na-2H]- 382.19009 188.3
[M]+ 361.21487 177.8
[M]- 361.21597 177.8
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.