CID 11653652

Chembl526479

Structural Information

Molecular Formula
C22H23N5O
SMILES
C1CNCCC1N2C=C(C(=N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5
InChI
InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,24,28H,2,4,7-8,11-12H2/b26-21+
InChIKey
KWEFZSZCLBHIEQ-YYADALCUSA-N
Compound name
(NE)-N-[5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

373.19025 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19753 187.8
[M+Na]+ 396.17947 192.9
[M-H]- 372.18297 194.8
[M+NH4]+ 391.22407 197.0
[M+K]+ 412.15341 185.1
[M+H-H2O]+ 356.18751 175.8
[M+HCOO]- 418.18845 202.2
[M+CH3COO]- 432.20410 195.4
[M+Na-2H]- 394.16492 186.4
[M]+ 373.18970 181.1
[M]- 373.19080 181.1
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.