CID 216370

Brn 0710696

Structural Information

Molecular Formula
C25H22N2O
SMILES
CCN1C2=C(C(=N1)C3=CC=CC=C3)C(C4=CC=CC=C42)(C5=CC=C(C=C5)C)O
InChI
InChI=1S/C25H22N2O/c1-3-27-24-20-11-7-8-12-21(20)25(28,19-15-13-17(2)14-16-19)22(24)23(26-27)18-9-5-4-6-10-18/h4-16,28H,3H2,1-2H3
InChIKey
HMDHJBALQARKML-UHFFFAOYSA-N
Compound name
1-ethyl-4-(4-methylphenyl)-3-phenylindeno[1,2-c]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.17322 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18050 191.3
[M+Na]+ 389.16244 202.0
[M-H]- 365.16594 200.4
[M+NH4]+ 384.20704 208.0
[M+K]+ 405.13638 193.6
[M+H-H2O]+ 349.17048 181.6
[M+HCOO]- 411.17142 210.3
[M+CH3COO]- 425.18707 202.1
[M+Na-2H]- 387.14789 192.1
[M]+ 366.17267 193.5
[M]- 366.17377 193.5
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.