CID 2724474

Thiourea, n-[4-(2-formylhydrazino)phenyl]-n'-phenyl-

Structural Information

Molecular Formula
C14H14N4OS
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NNC=O
InChI
InChI=1S/C14H14N4OS/c19-10-15-18-13-8-6-12(7-9-13)17-14(20)16-11-4-2-1-3-5-11/h1-10,18H,(H,15,19)(H2,16,17,20)
InChIKey
SKDQTLDBZMLKQA-UHFFFAOYSA-N
Compound name
N-[4-(phenylcarbamothioylamino)anilino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

286.08884 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09612 160.8
[M+Na]+ 309.07806 165.4
[M-H]- 285.08156 167.0
[M+NH4]+ 304.12266 175.2
[M+K]+ 325.05200 160.0
[M+H-H2O]+ 269.08610 152.1
[M+HCOO]- 331.08704 183.3
[M+CH3COO]- 345.10269 207.0
[M+Na-2H]- 307.06351 166.5
[M]+ 286.08829 158.8
[M]- 286.08939 158.8
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

patents stripe