CID 3064663

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

Structural Information

Molecular Formula
C24H22N4O2S
SMILES
CC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)C)OC
InChI
InChI=1S/C24H22N4O2S/c1-15-8-10-17(11-9-15)26-24(31)27-18-12-13-21(22(14-18)30-3)28-16(2)25-20-7-5-4-6-19(20)23(28)29/h4-14H,1-3H3,(H2,26,27,31)
InChIKey
JVCUYNNAOHXTFG-UHFFFAOYSA-N
Compound name
1-[3-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.14636 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.153636 203.9
[M+Na]+ 453.135578 212.6
[M-H]- 429.139084 212.3
[M+NH4]+ 448.180183 212.0
[M+K]+ 469.109518 204.7
[M+H-H2O]+ 413.143620 192.8
[M+HCOO]- 475.144561 219.8
[M+CH3COO]- 489.160211 212.5
[M+Na-2H]- 451.121026 206.4
[M]+ 430.14581142 207.3
[M]- 430.14690858 207.3
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.