CID 449087

N-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-naphthyl)acetamide

Structural Information

Molecular Formula
C18H17N3O
SMILES
C1CC1C2=CC(=NN2)NC(=O)CC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
InChIKey
RIGZCVNCFXYBEG-UHFFFAOYSA-N
Compound name
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

30
Patents

291.13718 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 166.1
[M+Na]+ 314.12640 175.7
[M-H]- 290.12990 173.6
[M+NH4]+ 309.17100 175.9
[M+K]+ 330.10034 168.2
[M+H-H2O]+ 274.13444 157.6
[M+HCOO]- 336.13538 188.2
[M+CH3COO]- 350.15103 176.9
[M+Na-2H]- 312.11185 171.2
[M]+ 291.13663 167.8
[M]- 291.13773 167.8
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

patents stripe