CID 9574980

3-furancarboxamide, n-[[4-chloro-3-(1-pyrrolidinylimino)methyl]phenyl]-2-methyl

Structural Information

Molecular Formula
C17H18ClN3O2
SMILES
CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2)Cl)/C=N/N3CCCC3
InChI
InChI=1S/C17H18ClN3O2/c1-12-15(6-9-23-12)17(22)20-14-4-5-16(18)13(10-14)11-19-21-7-2-3-8-21/h4-6,9-11H,2-3,7-8H2,1H3,(H,20,22)/b19-11+
InChIKey
NFAWGEAELDFNDT-YBFXNURJSA-N
Compound name
N-[4-chloro-3-[(E)-pyrrolidin-1-yliminomethyl]phenyl]-2-methylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.10876 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11604 180.4
[M+Na]+ 354.09798 187.2
[M-H]- 330.10148 190.9
[M+NH4]+ 349.14258 195.8
[M+K]+ 370.07192 183.1
[M+H-H2O]+ 314.10602 172.1
[M+HCOO]- 376.10696 200.2
[M+CH3COO]- 390.12261 211.7
[M+Na-2H]- 352.08343 180.0
[M]+ 331.10821 182.3
[M]- 331.10931 182.3
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.