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 168.9
[M+Na]+ 314.06667 181.3
[M-H]- 290.07017 174.2
[M+NH4]+ 309.11127 184.3
[M+K]+ 330.04061 176.2
[M+H-H2O]+ 274.07471 155.1
[M+HCOO]- 336.07565 186.0
[M+CH3COO]- 350.09130 212.4
[M+Na-2H]- 312.05212 169.0
[M]+ 291.07690 170.0
[M]- 291.07800 170.0
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.