CID 3068376

Brn 4614687

Structural Information

Molecular Formula
C34H25N5OS
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)NC(=S)NC6=CC=CC=C6
InChI
InChI=1S/C34H25N5OS/c40-33-30-13-7-8-14-31(30)38-32(25-15-17-26(18-16-25)35-23-24-9-3-1-4-10-24)39(33)29-21-19-28(20-22-29)37-34(41)36-27-11-5-2-6-12-27/h1-23H,(H2,36,37,41)
InChIKey
UPDYLFFFTWNWKU-UHFFFAOYSA-N
Compound name
1-[4-[2-[4-(benzylideneamino)phenyl]-4-oxoquinazolin-3-yl]phenyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.178 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.18528 231.2
[M+Na]+ 574.16722 250.1
[M+NH4]+ 569.21182 238.8
[M+K]+ 590.14116 235.7
[M-H]- 550.17072 244.3
[M+Na-2H]- 572.15267 246.9
[M]+ 551.17745 238.4
[M]- 551.17855 238.4
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.