CID 2818873

Oprea1_017285

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC(C)(C)N1C(=CC(=N1)C2CC2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O/c1-17(2,3)20-15(11-14(19-20)12-9-10-12)18-16(21)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,21)
InChIKey
BBRYOXPRHQGNPK-UHFFFAOYSA-N
Compound name
N-(1-tert-butyl-3-cyclopropylpyrazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.175736 168.7
[M+Na]+ 306.157678 177.2
[M-H]- 282.161184 176.6
[M+NH4]+ 301.202283 178.8
[M+K]+ 322.131618 172.0
[M+H-H2O]+ 266.165720 160.4
[M+HCOO]- 328.166661 189.7
[M+CH3COO]- 342.182311 205.3
[M+Na-2H]- 304.143126 171.6
[M]+ 283.16791142 171.1
[M]- 283.16900858 171.1
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.