CID 3008761

[(z)-[1-(dimethylaminomethyl)-2-oxo-indolin-3-ylidene]amino]thiourea

Structural Information

Molecular Formula
C12H15N5OS
SMILES
CN(C)CN1C2=CC=CC=C2C(=C1O)N=NC(=S)N
InChI
InChI=1S/C12H15N5OS/c1-16(2)7-17-9-6-4-3-5-8(9)10(11(17)18)14-15-12(13)19/h3-6,18H,7H2,1-2H3,(H2,13,19)
InChIKey
IGWQJXFVWCCCSY-UHFFFAOYSA-N
Compound name
[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.09973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10701 161.1
[M+Na]+ 300.08895 169.8
[M-H]- 276.09245 167.6
[M+NH4]+ 295.13355 179.7
[M+K]+ 316.06289 167.0
[M+H-H2O]+ 260.09699 153.2
[M+HCOO]- 322.09793 184.9
[M+CH3COO]- 336.11358 212.5
[M+Na-2H]- 298.07440 164.4
[M]+ 277.09918 165.5
[M]- 277.10028 165.5
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.