CID 2724474

63148-78-7

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

116
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 163.3
[M+Na]+ 309.07806 173.0
[M+NH4]+ 304.12266 170.8
[M+K]+ 325.05200 164.4
[M-H]- 285.08156 169.2
[M+Na-2H]- 307.06351 172.0
[M]+ 286.08829 166.5
[M]- 286.08939 166.5
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