CID 13362265

1-methyl-4-(2-benzofuryl)-2-allyliminopyrrolidine hydrogen fumarate

Structural Information

Molecular Formula
C16H18N2O
SMILES
CN1CC(CC1=NCC=C)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C16H18N2O/c1-3-8-17-16-10-13(11-18(16)2)15-9-12-6-4-5-7-14(12)19-15/h3-7,9,13H,1,8,10-11H2,2H3
InChIKey
ZNUPAVIDALELKR-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 158.8
[M+Na]+ 277.131118 167.9
[M-H]- 253.134624 167.6
[M+NH4]+ 272.175723 178.6
[M+K]+ 293.105058 164.4
[M+H-H2O]+ 237.139160 151.8
[M+HCOO]- 299.140101 183.4
[M+CH3COO]- 313.155751 172.3
[M+Na-2H]- 275.116566 161.8
[M]+ 254.14135142 161.0
[M]- 254.14244858 161.0
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

patents stripe