CID 500479

3-phenylchromane-6-carboxamidine

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1C(COC2=C1C=C(C=C2)C(=N)N)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c17-16(18)12-6-7-15-13(8-12)9-14(10-19-15)11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H3,17,18)
InChIKey
JKZZKEPGKICICV-UHFFFAOYSA-N
Compound name
3-phenyl-3,4-dihydro-2H-chromene-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 157.0
[M+Na]+ 275.11549 162.5
[M-H]- 251.11899 164.3
[M+NH4]+ 270.16009 172.5
[M+K]+ 291.08943 158.8
[M+H-H2O]+ 235.12353 149.0
[M+HCOO]- 297.12447 177.6
[M+CH3COO]- 311.14012 168.3
[M+Na-2H]- 273.10094 163.2
[M]+ 252.12572 151.9
[M]- 252.12682 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.