CID 216367

Brn 0695112

Structural Information

Molecular Formula
C23H26N2O
SMILES
CCN1C2=C(C(=N1)C(C)(C)C)C(C3=CC=CC=C32)(C4=CC=C(C=C4)C)O
InChI
InChI=1S/C23H26N2O/c1-6-25-20-17-9-7-8-10-18(17)23(26,16-13-11-15(2)12-14-16)19(20)21(24-25)22(3,4)5/h7-14,26H,6H2,1-5H3
InChIKey
BWHNMHJACGPENC-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-ethyl-4-(4-methylphenyl)indeno[2,1-d]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.211776 189.3
[M+Na]+ 369.193718 200.0
[M-H]- 345.197224 195.4
[M+NH4]+ 364.238323 207.8
[M+K]+ 385.167658 193.3
[M+H-H2O]+ 329.201760 182.1
[M+HCOO]- 391.202701 206.2
[M+CH3COO]- 405.218351 200.3
[M+Na-2H]- 367.179166 190.6
[M]+ 346.20395142 193.0
[M]- 346.20504858 193.0
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.