CID 3004641

Semicarbazide, 4-(p-diethylaminophenyl)-3-thio-

Structural Information

Molecular Formula
C11H18N4S
SMILES
CCN(CC)C1=CC=C(C=C1)NC(=S)NN
InChI
InChI=1S/C11H18N4S/c1-3-15(4-2)10-7-5-9(6-8-10)13-11(16)14-12/h5-8H,3-4,12H2,1-2H3,(H2,13,14,16)
InChIKey
ZSKYZZITPHXHEB-UHFFFAOYSA-N
Compound name
1-amino-3-[4-(diethylamino)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12521 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13249 154.0
[M+Na]+ 261.11443 158.3
[M-H]- 237.11793 158.1
[M+NH4]+ 256.15903 171.3
[M+K]+ 277.08837 155.4
[M+H-H2O]+ 221.12247 146.0
[M+HCOO]- 283.12341 175.1
[M+CH3COO]- 297.13906 203.7
[M+Na-2H]- 259.09988 156.0
[M]+ 238.12466 152.7
[M]- 238.12576 152.7
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.