CID 16727754

Chembl387690

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC=O
InChI
InChI=1S/C21H23N3O2/c25-12-22-24-20(26)19-8-17(16-3-1-2-4-18(16)23-19)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,12-15H,5-7,9-11H2,(H,22,25)(H,24,26)
InChIKey
QGPVXQAPDKIVGW-UHFFFAOYSA-N
Compound name
N-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.17902 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 171.3
[M+Na]+ 372.16824 171.7
[M-H]- 348.17174 168.3
[M+NH4]+ 367.21284 189.2
[M+K]+ 388.14218 166.9
[M+H-H2O]+ 332.17628 160.4
[M+HCOO]- 394.17722 176.8
[M+CH3COO]- 408.19287 177.0
[M+Na-2H]- 370.15369 182.6
[M]+ 349.17847 170.3
[M]- 349.17957 170.3
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.