CID 16729010

Chembl230273

Structural Information

Molecular Formula
C10H14N4OS
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=S)NO
InChI
InChI=1S/C10H14N4OS/c1-14(2)9-5-3-8(4-6-9)7-11-12-10(16)13-15/h3-7,15H,1-2H3,(H2,12,13,16)/b11-7+
InChIKey
GIUKKKZUADNPOH-YRNVUSSQSA-N
Compound name
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxythiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.08884 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09612 152.3
[M+Na]+ 261.07806 157.2
[M-H]- 237.08156 157.1
[M+NH4]+ 256.12266 169.7
[M+K]+ 277.05200 154.8
[M+H-H2O]+ 221.08610 144.3
[M+HCOO]- 283.08704 174.8
[M+CH3COO]- 297.10269 201.8
[M+Na-2H]- 259.06351 155.8
[M]+ 238.08829 152.2
[M]- 238.08939 152.2
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.