CID 4962000

852217-67-5

Structural Information

Molecular Formula
C14H14ClN3O2
SMILES
CC1=C(N(C(=C1C#N)NC(=O)CCl)CC2=CC=CO2)C
InChI
InChI=1S/C14H14ClN3O2/c1-9-10(2)18(8-11-4-3-5-20-11)14(12(9)7-16)17-13(19)6-15/h3-5H,6,8H2,1-2H3,(H,17,19)
InChIKey
YFLFNIONEHANRI-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.07745 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08473 162.4
[M+Na]+ 314.06667 174.2
[M+NH4]+ 309.11127 165.9
[M+K]+ 330.04061 168.5
[M-H]- 290.07017 158.4
[M+Na-2H]- 312.05212 165.1
[M]+ 291.07690 162.3
[M]- 291.07800 162.3
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.