CID 11821084

[(z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylene]amino]thiourea

Structural Information

Molecular Formula
C22H20N6OS
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NC4=CC=C(C=C4)/C(=N/NC(=S)N)/N
InChI
InChI=1S/C22H20N6OS/c1-29-15-10-11-19-17(12-15)20(16-4-2-3-5-18(16)26-19)25-14-8-6-13(7-9-14)21(23)27-28-22(24)30/h2-12H,1H3,(H2,23,27)(H,25,26)(H3,24,28,30)
InChIKey
DCIVLRUNJSBTHC-UHFFFAOYSA-N
Compound name
[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.14194 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14922 190.9
[M+Na]+ 439.13116 197.4
[M-H]- 415.13466 198.0
[M+NH4]+ 434.17576 200.8
[M+K]+ 455.10510 190.7
[M+H-H2O]+ 399.13920 180.9
[M+HCOO]- 461.14014 210.6
[M+CH3COO]- 475.15579 199.5
[M+Na-2H]- 437.11661 198.1
[M]+ 416.14139 191.5
[M]- 416.14249 191.5
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.