CID 13287824

2h-1-benzopyran-6-carboxylic acid, 3,4-dihydro-3-(1h-imidazol-1-yl)-2-methyl-, cis-monohydrochloride

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CC1C(CC2=C(O1)C=CC(=C2)C(=O)O)N3C=CN=C3
InChI
InChI=1S/C14H14N2O3/c1-9-12(16-5-4-15-8-16)7-11-6-10(14(17)18)2-3-13(11)19-9/h2-6,8-9,12H,7H2,1H3,(H,17,18)
InChIKey
VCKLNJFLUYKOFP-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-2-methyl-3,4-dihydro-2H-chromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

258.10043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 157.3
[M+Na]+ 281.08965 165.4
[M-H]- 257.09315 161.8
[M+NH4]+ 276.13425 172.1
[M+K]+ 297.06359 162.7
[M+H-H2O]+ 241.09769 149.3
[M+HCOO]- 303.09863 174.1
[M+CH3COO]- 317.11428 168.8
[M+Na-2H]- 279.07510 160.5
[M]+ 258.09988 157.0
[M]- 258.10098 157.0
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

patents stripe