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]+ 255.14918 158.8
[M+Na]+ 277.13112 167.9
[M-H]- 253.13462 167.6
[M+NH4]+ 272.17572 178.6
[M+K]+ 293.10506 164.4
[M+H-H2O]+ 237.13916 151.8
[M+HCOO]- 299.14010 183.4
[M+CH3COO]- 313.15575 172.3
[M+Na-2H]- 275.11657 161.8
[M]+ 254.14135 161.0
[M]- 254.14245 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