CID 127530

76877-34-4

Structural Information

Molecular Formula
C22H23IN2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)NC(=O)CI)C
InChI
InChI=1S/C22H23IN2O3/c1-4-25(5-2)17-10-11-18-14(3)21(22(27)28-19(18)12-17)15-6-8-16(9-7-15)24-20(26)13-23/h6-12H,4-5,13H2,1-3H3,(H,24,26)
InChIKey
WIXAQXKQLNRFDF-UHFFFAOYSA-N
Compound name
N-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

632
Patents

490.07535 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.08263 211.4
[M+Na]+ 513.06457 217.2
[M+NH4]+ 508.10917 213.8
[M+K]+ 529.03851 212.4
[M-H]- 489.06807 211.7
[M+Na-2H]- 511.05002 204.3
[M]+ 490.07480 211.3
[M]- 490.07590 211.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe