CID 34176

28165-25-5

Structural Information

Molecular Formula
C17H19NO
SMILES
CN(C)CC1C2=CC=CC=C2C(O1)C3=CC=CC=C3
InChI
InChI=1S/C17H19NO/c1-18(2)12-16-14-10-6-7-11-15(14)17(19-16)13-8-4-3-5-9-13/h3-11,16-17H,12H2,1-2H3
InChIKey
XHBCRHMJIAQUCP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(3-phenyl-1,3-dihydro-2-benzofuran-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 159.2
[M+Na]+ 276.13589 166.1
[M-H]- 252.13939 168.7
[M+NH4]+ 271.18049 178.1
[M+K]+ 292.10983 163.9
[M+H-H2O]+ 236.14393 151.8
[M+HCOO]- 298.14487 182.5
[M+CH3COO]- 312.16052 172.2
[M+Na-2H]- 274.12134 163.9
[M]+ 253.14612 160.7
[M]- 253.14722 160.7
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.