CID 60218

2h-1-benzopyran-6-methanamine, 3,4-dihydro-alpha-phenyl-, hydrochloride

Structural Information

Molecular Formula
C16H17NO
SMILES
CN(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCC3
InChI
InChI=1S/C16H17NO/c1-17(14-7-3-2-4-8-14)15-9-10-16-13(12-15)6-5-11-18-16/h2-4,7-10,12H,5-6,11H2,1H3
InChIKey
YZJCRWGBOFTSJZ-UHFFFAOYSA-N
Compound name
N-methyl-N-phenyl-3,4-dihydro-2H-chromen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13101 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 153.5
[M+Na]+ 262.12023 158.9
[M-H]- 238.12373 162.2
[M+NH4]+ 257.16483 170.5
[M+K]+ 278.09417 157.0
[M+H-H2O]+ 222.12827 145.1
[M+HCOO]- 284.12921 174.9
[M+CH3COO]- 298.14486 165.7
[M+Na-2H]- 260.10568 161.2
[M]+ 239.13046 151.9
[M]- 239.13156 151.9
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.