CID 135499542

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

Structural Information

Molecular Formula
C21H18N4O2S
SMILES
COC1=CC=C(C=C1)C2=CS/C(=N\N=C/3\C4=CC=CC=C4NC3=O)/N2CC=C
InChI
InChI=1S/C21H18N4O2S/c1-3-12-25-18(14-8-10-15(27-2)11-9-14)13-28-21(25)24-23-19-16-6-4-5-7-17(16)22-20(19)26/h3-11,13H,1,12H2,2H3,(H,22,23,26)/b24-21-
InChIKey
BNIUHCDDWZOZBB-FLFQWRMESA-N
Compound name
(3Z)-3-[(Z)-[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]hydrazinylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.11505 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12233 193.0
[M+Na]+ 413.10427 202.9
[M-H]- 389.10777 203.7
[M+NH4]+ 408.14887 207.4
[M+K]+ 429.07821 195.7
[M+H-H2O]+ 373.11231 184.4
[M+HCOO]- 435.11325 213.7
[M+CH3COO]- 449.12890 204.0
[M+Na-2H]- 411.08972 192.2
[M]+ 390.11450 197.1
[M]- 390.11560 197.1
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.