CID 198525

70121-39-0

Structural Information

Molecular Formula
C19H24N4O
SMILES
CCN(CC)CC(=O)NC1=C(C(=C(N1)CC2=CC=CC=C2)C)C#N
InChI
InChI=1S/C19H24N4O/c1-4-23(5-2)13-18(24)22-19-16(12-20)14(3)17(21-19)11-15-9-7-6-8-10-15/h6-10,21H,4-5,11,13H2,1-3H3,(H,22,24)
InChIKey
ZCXMQNCMBQEADH-UHFFFAOYSA-N
Compound name
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.195 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.202276 183.2
[M+Na]+ 347.184218 190.0
[M-H]- 323.187724 186.7
[M+NH4]+ 342.228823 195.4
[M+K]+ 363.158158 184.9
[M+H-H2O]+ 307.192260 167.4
[M+HCOO]- 369.193201 201.7
[M+CH3COO]- 383.208851 225.0
[M+Na-2H]- 345.169666 181.9
[M]+ 324.19445142 178.6
[M]- 324.19554858 178.6
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.