CID 6435982

3-(2-(2,5-dihydroxyphenyl)ethyl)-8-iodo-2-(2-phenylethenyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C24H19IN2O3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=C3I)C(=O)N2CCC4=C(C=CC(=C4)O)O
InChI
InChI=1S/C24H19IN2O3/c25-20-8-4-7-19-23(20)26-22(12-9-16-5-2-1-3-6-16)27(24(19)30)14-13-17-15-18(28)10-11-21(17)29/h1-12,15,28-29H,13-14H2/b12-9+
InChIKey
RUWMANAANHONOP-FMIVXFBMSA-N
Compound name
3-[2-(2,5-dihydroxyphenyl)ethyl]-8-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.04404 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.05132 204.2
[M+Na]+ 533.03326 205.8
[M-H]- 509.03676 202.0
[M+NH4]+ 528.07786 207.2
[M+K]+ 549.00720 203.3
[M+H-H2O]+ 493.04130 189.1
[M+HCOO]- 555.04224 215.5
[M+CH3COO]- 569.05789 208.1
[M+Na-2H]- 531.01871 195.5
[M]+ 510.04349 201.8
[M]- 510.04459 201.8
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.