CID 28818871

1172528-99-2

Structural Information

Molecular Formula
C16H18N2O2
SMILES
C1CC1NC(=O)C2=CC=C(C=C2)CNCC3=CC=CO3
InChI
InChI=1S/C16H18N2O2/c19-16(18-14-7-8-14)13-5-3-12(4-6-13)10-17-11-15-2-1-9-20-15/h1-6,9,14,17H,7-8,10-11H2,(H,18,19)
InChIKey
SDGXXFYOLBOOOE-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-[(furan-2-ylmethylamino)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 164.8
[M+Na]+ 293.12606 177.1
[M+NH4]+ 288.17066 173.2
[M+K]+ 309.10000 173.5
[M-H]- 269.12956 178.3
[M+Na-2H]- 291.11151 174.8
[M]+ 270.13629 171.3
[M]- 270.13739 171.3
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.