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]+ 269.085556 152.7
[M+Na]+ 291.067498 161.7
[M-H]- 267.071004 156.7
[M+NH4]+ 286.112103 169.7
[M+K]+ 307.041438 155.3
[M+H-H2O]+ 251.075540 145.4
[M+HCOO]- 313.076481 172.0
[M+CH3COO]- 327.092131 164.5
[M+Na-2H]- 289.052946 162.0
[M]+ 268.07773142 152.8
[M]- 268.07882858 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.