CID 55161

N-(2-phenylethyl)-2h-1-benzopyran-3-methanamine hydrochloride

Structural Information

Molecular Formula
C18H19NO
SMILES
CN(CCC1=CC=CC=C1)C2=CC3=CC=CC=C3OC2
InChI
InChI=1S/C18H19NO/c1-19(12-11-15-7-3-2-4-8-15)17-13-16-9-5-6-10-18(16)20-14-17/h2-10,13H,11-12,14H2,1H3
InChIKey
OBZODXOBOORBAO-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-phenylethyl)-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 161.9
[M+Na]+ 288.13589 167.5
[M-H]- 264.13939 170.7
[M+NH4]+ 283.18049 178.0
[M+K]+ 304.10983 165.0
[M+H-H2O]+ 248.14393 153.1
[M+HCOO]- 310.14487 184.1
[M+CH3COO]- 324.16052 173.8
[M+Na-2H]- 286.12134 169.5
[M]+ 265.14612 162.5
[M]- 265.14722 162.5
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.