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 155.2
[M+Na]+ 293.12606 162.1
[M-H]- 269.12956 166.1
[M+NH4]+ 288.17066 166.4
[M+K]+ 309.10000 158.9
[M+H-H2O]+ 253.13410 147.7
[M+HCOO]- 315.13504 180.9
[M+CH3COO]- 329.15069 203.4
[M+Na-2H]- 291.11151 160.6
[M]+ 270.13629 158.2
[M]- 270.13739 158.2
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.