CID 3005266

Nsc687863

Structural Information

Molecular Formula
C24H20N4OS
SMILES
CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4OS/c1-16-8-7-11-18(14-16)25-24(30)28-27-23(29)20-15-22(17-9-3-2-4-10-17)26-21-13-6-5-12-19(20)21/h2-15H,1H3,(H,27,29)(H2,25,28,30)
InChIKey
MANTYYIOEGZMJO-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.13577 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14305 195.4
[M+Na]+ 435.12499 200.9
[M-H]- 411.12849 204.0
[M+NH4]+ 430.16959 204.6
[M+K]+ 451.09893 193.1
[M+H-H2O]+ 395.13303 185.0
[M+HCOO]- 457.13397 212.7
[M+CH3COO]- 471.14962 203.6
[M+Na-2H]- 433.11044 200.1
[M]+ 412.13522 194.6
[M]- 412.13632 194.6
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.