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

No literature data available for this compound.

Patent stripe

patents stripe