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]+ 325.20228 183.2
[M+Na]+ 347.18422 190.0
[M-H]- 323.18772 186.7
[M+NH4]+ 342.22882 195.4
[M+K]+ 363.15816 184.9
[M+H-H2O]+ 307.19226 167.4
[M+HCOO]- 369.19320 201.7
[M+CH3COO]- 383.20885 225.0
[M+Na-2H]- 345.16967 181.9
[M]+ 324.19445 178.6
[M]- 324.19555 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.