CID 3064666

Thiourea, n-(4-(6-iodo-2-methyl-4-oxo-3(4h)-quinazolinyl)-3-methoxyphenyl)-n'-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C24H21IN4O3S
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=C(C=C(C=C3)NC(=S)NC4=CC=C(C=C4)OC)OC
InChI
InChI=1S/C24H21IN4O3S/c1-14-26-20-10-4-15(25)12-19(20)23(30)29(14)21-11-7-17(13-22(21)32-3)28-24(33)27-16-5-8-18(31-2)9-6-16/h4-13H,1-3H3,(H2,27,28,33)
InChIKey
LRECGIUKAXPXLQ-UHFFFAOYSA-N
Compound name
1-[4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-3-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.0379 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.04518 219.8
[M+Na]+ 595.02712 221.1
[M-H]- 571.03062 220.3
[M+NH4]+ 590.07172 221.9
[M+K]+ 611.00106 220.0
[M+H-H2O]+ 555.03516 204.7
[M+HCOO]- 617.03610 230.3
[M+CH3COO]- 631.05175 223.3
[M+Na-2H]- 593.01257 210.1
[M]+ 572.03735 221.5
[M]- 572.03845 221.5
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.