CID 135754405

108112-24-9

Structural Information

Molecular Formula
C24H20N4OS
SMILES
CC1=CC2=C(C=C1)NC(=C2N=NC(=S)NC3=CC=C(C=C3)/C=C/C4=CC=CC=C4)O
InChI
InChI=1S/C24H20N4OS/c1-16-7-14-21-20(15-16)22(23(29)26-21)27-28-24(30)25-19-12-10-18(11-13-19)9-8-17-5-3-2-4-6-17/h2-15,26,29H,1H3,(H,25,30)/b9-8+,28-27?
InChIKey
UZQCGTIQXXUAAH-MIPBTMIOSA-N
Compound name
1-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.13577 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14305 198.8
[M+Na]+ 435.12499 212.6
[M+NH4]+ 430.16959 206.3
[M+K]+ 451.09893 203.0
[M-H]- 411.12849 206.6
[M+Na-2H]- 433.11044 208.6
[M]+ 412.13522 203.4
[M]- 412.13632 203.4
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.