CID 390450

Nsc687804

Structural Information

Molecular Formula
C23H23N3O2
SMILES
CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C23H23N3O2/c1-15(27)26-22(17-8-11-18(12-9-17)25(2)3)14-21(24-26)20-13-10-16-6-4-5-7-19(16)23(20)28/h4-13,22,28H,14H2,1-3H3
InChIKey
YTSPBKYGASVAOK-UHFFFAOYSA-N
Compound name
1-[3-[4-(dimethylamino)phenyl]-5-(1-hydroxynaphthalen-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18630 191.6
[M+Na]+ 396.16824 198.7
[M-H]- 372.17174 200.1
[M+NH4]+ 391.21284 203.2
[M+K]+ 412.14218 193.3
[M+H-H2O]+ 356.17628 181.2
[M+HCOO]- 418.17722 210.1
[M+CH3COO]- 432.19287 201.2
[M+Na-2H]- 394.15369 191.2
[M]+ 373.17847 192.3
[M]- 373.17957 192.3
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.