CID 78239

4487-30-3

Structural Information

Molecular Formula
C22H20N2O3
SMILES
COC1=CC=C(C=C1)C2C=NNC2C(=O)C3=C(C=CC4=CC=CC=C43)OC
InChI
InChI=1S/C22H20N2O3/c1-26-16-10-7-15(8-11-16)18-13-23-24-21(18)22(25)20-17-6-4-3-5-14(17)9-12-19(20)27-2/h3-13,18,21,24H,1-2H3
InChIKey
IBXNPYQHXAZLFV-UHFFFAOYSA-N
Compound name
(2-methoxynaphthalen-1-yl)-[4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

360.1474 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15468 186.4
[M+Na]+ 383.13662 193.6
[M-H]- 359.14012 193.3
[M+NH4]+ 378.18122 197.8
[M+K]+ 399.11056 187.6
[M+H-H2O]+ 343.14466 176.1
[M+HCOO]- 405.14560 203.8
[M+CH3COO]- 419.16125 195.9
[M+Na-2H]- 381.12207 187.2
[M]+ 360.14685 187.1
[M]- 360.14795 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.