CID 3064667

Thiourea, n-(3-chlorophenyl)-n'-(3-methoxy-4-(2-methyl-4-oxo-3(4h)-quinazolinyl)phenyl)-

Structural Information

Molecular Formula
C23H19ClN4O2S
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)NC(=S)NC4=CC(=CC=C4)Cl)OC
InChI
InChI=1S/C23H19ClN4O2S/c1-14-25-19-9-4-3-8-18(19)22(29)28(14)20-11-10-17(13-21(20)30-2)27-23(31)26-16-7-5-6-15(24)12-16/h3-13H,1-2H3,(H2,26,27,31)
InChIKey
SREHXQXANWRFCT-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[3-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.09174 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.09902 204.9
[M+Na]+ 473.08096 214.7
[M-H]- 449.08446 213.3
[M+NH4]+ 468.12556 213.2
[M+K]+ 489.05490 206.0
[M+H-H2O]+ 433.08900 194.7
[M+HCOO]- 495.08994 216.7
[M+CH3COO]- 509.10559 213.6
[M+Na-2H]- 471.06641 207.6
[M]+ 450.09119 210.5
[M]- 450.09229 210.5
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.