CID 216368

56767-28-3

Structural Information

Molecular Formula
C22H23ClN2O
SMILES
CCN1C2=C(C(=N1)C(C)(C)C)C(C3=CC=CC=C32)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C22H23ClN2O/c1-5-25-19-16-8-6-7-9-17(16)22(26,14-10-12-15(23)13-11-14)18(19)20(24-25)21(2,3)4/h6-13,26H,5H2,1-4H3
InChIKey
UGPWZFYCCSIYOT-UHFFFAOYSA-N
Compound name
3-tert-butyl-4-(4-chlorophenyl)-1-ethylindeno[1,2-c]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1499 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15718 193.1
[M+Na]+ 389.13912 205.0
[M-H]- 365.14262 199.0
[M+NH4]+ 384.18372 211.6
[M+K]+ 405.11306 196.9
[M+H-H2O]+ 349.14716 186.0
[M+HCOO]- 411.14810 205.6
[M+CH3COO]- 425.16375 203.9
[M+Na-2H]- 387.12457 194.2
[M]+ 366.14935 198.4
[M]- 366.15045 198.4
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.