CID 3130370

315245-11-5

Structural Information

Molecular Formula
C24H21ClN2O4
SMILES
COC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC4=CC=CC=C4Cl
InChI
InChI=1S/C24H21ClN2O4/c1-29-21-11-14(9-10-19(21)30-13-15-5-2-3-6-17(15)25)22-16(12-26)24(27)31-20-8-4-7-18(28)23(20)22/h2-3,5-6,9-11,22H,4,7-8,13,27H2,1H3
InChIKey
OMPUKSFDVMPZAH-UHFFFAOYSA-N
Compound name
2-amino-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.119 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.126276 208.1
[M+Na]+ 459.108218 219.2
[M-H]- 435.111724 216.1
[M+NH4]+ 454.152823 216.5
[M+K]+ 475.082158 210.7
[M+H-H2O]+ 419.116260 192.7
[M+HCOO]- 481.117201 218.5
[M+CH3COO]- 495.132851 215.5
[M+Na-2H]- 457.093666 207.3
[M]+ 436.11845142 205.8
[M]- 436.11954858 205.8
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.