CID 135499543

3-[(3-butyl-4-(p-methoxyphenyl)-4-thiazoline)-2-hydrazono]-2-indolinone

Structural Information

Molecular Formula
C22H22N4O2S
SMILES
CCCCN\1C(=CS/C1=N\N=C/2\C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H22N4O2S/c1-3-4-13-26-19(15-9-11-16(28-2)12-10-15)14-29-22(26)25-24-20-17-7-5-6-8-18(17)23-21(20)27/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,27)/b25-22-
InChIKey
FOTFJYLBLXEJIG-LVWGJNHUSA-N
Compound name
(3Z)-3-[(Z)-[3-butyl-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.14636 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15364 197.4
[M+Na]+ 429.13558 206.5
[M-H]- 405.13908 207.9
[M+NH4]+ 424.18018 211.2
[M+K]+ 445.10952 199.7
[M+H-H2O]+ 389.14362 188.5
[M+HCOO]- 451.14456 217.5
[M+CH3COO]- 465.16021 207.9
[M+Na-2H]- 427.12103 196.1
[M]+ 406.14581 202.5
[M]- 406.14691 202.5
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.