CID 489565

1-(1-piperidylmethyl)-3-thiazol-2-ylimino-indolin-2-one

Structural Information

Molecular Formula
C17H18N4OS
SMILES
C1CCN(CC1)CN2C3=CC=CC=C3C(=NC4=NC=CS4)C2=O
InChI
InChI=1S/C17H18N4OS/c22-16-15(19-17-18-8-11-23-17)13-6-2-3-7-14(13)21(16)12-20-9-4-1-5-10-20/h2-3,6-8,11H,1,4-5,9-10,12H2
InChIKey
JGUCNICUGCWUDE-UHFFFAOYSA-N
Compound name
1-(piperidin-1-ylmethyl)-3-(1,3-thiazol-2-ylimino)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.12012 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12740 175.7
[M+Na]+ 349.10934 183.4
[M-H]- 325.11284 183.8
[M+NH4]+ 344.15394 191.1
[M+K]+ 365.08328 178.2
[M+H-H2O]+ 309.11738 166.6
[M+HCOO]- 371.11832 190.8
[M+CH3COO]- 385.13397 186.1
[M+Na-2H]- 347.09479 173.9
[M]+ 326.11957 174.7
[M]- 326.12067 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.