CID 35532110

Jk-p3

Structural Information

Molecular Formula
C18H17N3O3
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=NNC(=C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKey
QAZJUVDICQNITG-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

323.12698 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 174.2
[M+Na]+ 346.11620 181.3
[M-H]- 322.11970 180.7
[M+NH4]+ 341.16080 186.1
[M+K]+ 362.09014 176.5
[M+H-H2O]+ 306.12424 164.3
[M+HCOO]- 368.12518 196.1
[M+CH3COO]- 382.14083 206.7
[M+Na-2H]- 344.10165 176.9
[M]+ 323.12643 175.3
[M]- 323.12753 175.3
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

patents stripe