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 152.7
[M+Na]+ 291.06750 161.7
[M-H]- 267.07100 156.7
[M+NH4]+ 286.11210 169.7
[M+K]+ 307.04144 155.3
[M+H-H2O]+ 251.07554 145.4
[M+HCOO]- 313.07648 172.0
[M+CH3COO]- 327.09213 164.5
[M+Na-2H]- 289.05295 162.0
[M]+ 268.07773 152.8
[M]- 268.07883 152.8
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.