CID 3038135

Semicarbazide, 4-(9-acridinyl)-3-thio-

Structural Information

Molecular Formula
C14H12N4S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=S)NN
InChI
InChI=1S/C14H12N4S/c15-18-14(19)17-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)13/h1-8H,15H2,(H2,16,17,18,19)
InChIKey
LGAADYBQACWKGQ-UHFFFAOYSA-N
Compound name
1-acridin-9-yl-3-aminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.07828 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08556 154.9
[M+Na]+ 291.06750 168.3
[M+NH4]+ 286.11210 164.3
[M+K]+ 307.04144 158.6
[M-H]- 267.07100 160.2
[M+Na-2H]- 289.05295 163.2
[M]+ 268.07773 158.7
[M]- 268.07883 158.7
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.