CID 93734

57609-72-0

Structural Information

Molecular Formula
C31H38N4
SMILES
CCN(CC)C1=CC=C(C=C1)C=CC2=NN(C(C2)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C4
InChI
InChI=1S/C31H38N4/c1-5-33(6-2)28-20-15-25(16-21-28)14-19-27-24-31(35(32-27)30-12-10-9-11-13-30)26-17-22-29(23-18-26)34(7-3)8-4/h9-23,31H,5-8,24H2,1-4H3
InChIKey
BZKRKPGZABEOSM-UHFFFAOYSA-N
Compound name
4-[2-[3-[4-(diethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]ethenyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3124
Patents

466.30966 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.31694 221.9
[M+Na]+ 489.29888 224.6
[M-H]- 465.30238 233.3
[M+NH4]+ 484.34348 229.0
[M+K]+ 505.27282 217.7
[M+H-H2O]+ 449.30692 208.1
[M+HCOO]- 511.30786 242.6
[M+CH3COO]- 525.32351 248.7
[M+Na-2H]- 487.28433 218.6
[M]+ 466.30911 223.5
[M]- 466.31021 223.5
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

patents stripe