CID 9578450

9-(3'-methyl-4'-ethylidene-thiosemicarbazido)acridine

Structural Information

Molecular Formula
C17H16N4S
SMILES
C/C=N/N(C)C(=S)NC1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C17H16N4S/c1-3-18-21(2)17(22)20-16-12-8-4-6-10-14(12)19-15-11-7-5-9-13(15)16/h3-11H,1-2H3,(H,19,20,22)/b18-3+
InChIKey
ALCCBITXAHWODE-JFQJCAQQSA-N
Compound name
3-acridin-9-yl-1-[(E)-ethylideneamino]-1-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.10956 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11684 168.2
[M+Na]+ 331.09878 182.0
[M+NH4]+ 326.14338 177.6
[M+K]+ 347.07272 171.4
[M-H]- 307.10228 174.1
[M+Na-2H]- 329.08423 176.9
[M]+ 308.10901 172.4
[M]- 308.11011 172.4
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

No patent data available for this compound.