CID 11261252

Fg-020318

Structural Information

Molecular Formula
C36H39N5
SMILES
CCN(CC)C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)/C=C/C4=CC=CC=N4)C5=CC=C(C=C5)N(CC)CC
InChI
InChI=1S/C36H39N5/c1-5-40(6-2)32-22-17-28(18-23-32)34-35(29-19-24-33(25-20-29)41(7-3)8-4)39-36(38-34)30-15-12-27(13-16-30)14-21-31-11-9-10-26-37-31/h9-26H,5-8H2,1-4H3,(H,38,39)/b21-14+
InChIKey
VXANOYUPSVZIAA-KGENOOAVSA-N
Compound name
4-[4-[4-(diethylamino)phenyl]-2-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-imidazol-5-yl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.32056 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.32784 239.4
[M+Na]+ 564.30978 242.1
[M-H]- 540.31328 251.2
[M+NH4]+ 559.35438 240.7
[M+K]+ 580.28372 232.6
[M+H-H2O]+ 524.31782 223.7
[M+HCOO]- 586.31876 257.6
[M+CH3COO]- 600.33441 244.2
[M+Na-2H]- 562.29523 236.0
[M]+ 541.32001 240.0
[M]- 541.32111 240.0
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.