CID 11821082

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

Structural Information

Molecular Formula
C22H20N6O2
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NC4=CC=C(C=C4)/C(=N/NC(=O)N)/N
InChI
InChI=1S/C22H20N6O2/c1-30-15-10-11-19-17(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)29/h2-12H,1H3,(H2,23,27)(H,25,26)(H3,24,28,29)
InChIKey
BHTZSGGZOGLFMS-UHFFFAOYSA-N
Compound name
[(Z)-[amino-[4-[(2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.16476 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17204 189.7
[M+Na]+ 423.15398 195.8
[M-H]- 399.15748 197.5
[M+NH4]+ 418.19858 199.6
[M+K]+ 439.12792 191.1
[M+H-H2O]+ 383.16202 178.8
[M+HCOO]- 445.16296 214.6
[M+CH3COO]- 459.17861 198.7
[M+Na-2H]- 421.13943 197.8
[M]+ 400.16421 189.3
[M]- 400.16531 189.3
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.