CID 135754406

Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3h-indol-3-ylidene)-n- (4-(2-phenylethenyl)phenyl)-

Structural Information

Molecular Formula
C23H18N4OS
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)NC(=S)N=NC3=C(NC4=CC=CC=C43)O
InChI
InChI=1S/C23H18N4OS/c28-22-21(19-8-4-5-9-20(19)25-22)26-27-23(29)24-18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-15,25,28H,(H,24,29)/b11-10+,27-26?
InChIKey
ZSMSKDOUTQCOTR-HXADNVCISA-N
Compound name
1-[(2-hydroxy-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

398.12012 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.12740 192.6
[M+Na]+ 421.10934 200.4
[M-H]- 397.11284 202.4
[M+NH4]+ 416.15394 204.7
[M+K]+ 437.08328 191.7
[M+H-H2O]+ 381.11738 183.3
[M+HCOO]- 443.11832 213.9
[M+CH3COO]- 457.13397 202.4
[M+Na-2H]- 419.09479 196.7
[M]+ 398.11957 193.9
[M]- 398.12067 193.9
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.