CID 5387980

Nsc630309

Structural Information

Molecular Formula
C20H18N4
SMILES
C1=CC=C(C=C1)/C=C/C2=NNC(=C2)CCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H18N4/c1-2-6-15(7-3-1)10-11-16-14-17(24-23-16)12-13-20-21-18-8-4-5-9-19(18)22-20/h1-11,14H,12-13H2,(H,21,22)(H,23,24)/b11-10+
InChIKey
OWYXAQBXRBXNCS-ZHACJKMWSA-N
Compound name
2-[2-[3-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]ethyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.15314 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16042 174.3
[M+Na]+ 337.14236 183.2
[M-H]- 313.14586 177.8
[M+NH4]+ 332.18696 186.3
[M+K]+ 353.11630 173.9
[M+H-H2O]+ 297.15040 163.8
[M+HCOO]- 359.15134 192.6
[M+CH3COO]- 373.16699 184.0
[M+Na-2H]- 335.12781 177.1
[M]+ 314.15259 173.2
[M]- 314.15369 173.2
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.