CID 26762

Furfenorex

Structural Information

Molecular Formula
C15H19NO
SMILES
CC(CC1=CC=CC=C1)N(C)CC2=CC=CO2
InChI
InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3
InChIKey
DLGIIZAHQPTVCJ-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-N-methyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

2111
Patents

229.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 155.4
[M+Na]+ 252.13589 160.5
[M-H]- 228.13939 163.6
[M+NH4]+ 247.18049 173.8
[M+K]+ 268.10983 159.8
[M+H-H2O]+ 212.14393 147.9
[M+HCOO]- 274.14487 180.0
[M+CH3COO]- 288.16052 196.1
[M+Na-2H]- 250.12134 159.5
[M]+ 229.14612 157.5
[M]- 229.14722 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe