CID 375243

Nsc654632

Structural Information

Molecular Formula
C21H19N5O
SMILES
C1=CC=C(C=C1)CC2C(=O)N(C(=N2)NC#N)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H19N5O/c22-14-24-21-25-19(12-15-6-2-1-3-7-15)20(27)26(21)11-10-16-13-23-18-9-5-4-8-17(16)18/h1-9,13,19,23H,10-12H2,(H,24,25)
InChIKey
SKLZGBVAIJHAMU-UHFFFAOYSA-N
Compound name
[4-benzyl-1-[2-(1H-indol-3-yl)ethyl]-5-oxo-4H-imidazol-2-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.15897 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16625 187.0
[M+Na]+ 380.14819 197.2
[M-H]- 356.15169 190.2
[M+NH4]+ 375.19279 197.1
[M+K]+ 396.12213 187.0
[M+H-H2O]+ 340.15623 169.6
[M+HCOO]- 402.15717 203.3
[M+CH3COO]- 416.17282 194.6
[M+Na-2H]- 378.13364 187.2
[M]+ 357.15842 181.6
[M]- 357.15952 181.6
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.