CID 11821085

[(z)-[amino-[4-[(6-chloro-2-methoxy-acridin-9-yl)amino]phenyl]methylene]amino]thiourea

Structural Information

Molecular Formula
C22H19ClN6OS
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=C(C=C4)/C(=N/NC(=S)N)/N
InChI
InChI=1S/C22H19ClN6OS/c1-30-15-7-9-18-17(11-15)20(16-8-4-13(23)10-19(16)27-18)26-14-5-2-12(3-6-14)21(24)28-29-22(25)31/h2-11H,1H3,(H2,24,28)(H,26,27)(H3,25,29,31)
InChIKey
CSWFJRBVMSTASB-UHFFFAOYSA-N
Compound name
[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.10297 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.11025 199.7
[M+Na]+ 473.09219 207.7
[M-H]- 449.09569 207.1
[M+NH4]+ 468.13679 209.5
[M+K]+ 489.06613 200.1
[M+H-H2O]+ 433.10023 190.9
[M+HCOO]- 495.10117 215.0
[M+CH3COO]- 509.11682 208.1
[M+Na-2H]- 471.07764 205.5
[M]+ 450.10242 203.4
[M]- 450.10352 203.4
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.