CID 3123205

2-(9(10h)-acridinylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C14H12N4S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=S)N
InChI
InChI=1S/C14H12N4S/c15-14(19)18-17-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)(H3,15,18,19)
InChIKey
HHYXHHPLUJAGMS-UHFFFAOYSA-N
Compound name
(acridin-9-ylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

268.07828 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08556 152.5
[M+Na]+ 291.06750 161.4
[M-H]- 267.07100 156.4
[M+NH4]+ 286.11210 169.3
[M+K]+ 307.04144 154.9
[M+H-H2O]+ 251.07554 145.1
[M+HCOO]- 313.07648 171.7
[M+CH3COO]- 327.09213 164.1
[M+Na-2H]- 289.05295 161.7
[M]+ 268.07773 152.6
[M]- 268.07883 152.6
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

patents stripe