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]+ 431.15364 203.9
[M+Na]+ 453.13558 212.6
[M-H]- 429.13908 212.3
[M+NH4]+ 448.18018 212.0
[M+K]+ 469.10952 204.7
[M+H-H2O]+ 413.14362 192.8
[M+HCOO]- 475.14456 219.8
[M+CH3COO]- 489.16021 212.5
[M+Na-2H]- 451.12103 206.4
[M]+ 430.14581 207.3
[M]- 430.14691 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.