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[1,2-c]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]+ 347.21178 189.3
[M+Na]+ 369.19372 200.0
[M-H]- 345.19722 195.4
[M+NH4]+ 364.23832 207.8
[M+K]+ 385.16766 193.3
[M+H-H2O]+ 329.20176 182.1
[M+HCOO]- 391.20270 206.2
[M+CH3COO]- 405.21835 200.3
[M+Na-2H]- 367.17917 190.6
[M]+ 346.20395 193.0
[M]- 346.20505 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.