CID 11821083

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

Structural Information

Molecular Formula
C22H19ClN6O2
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=C(C=C4)/C(=N/NC(=O)N)/N
InChI
InChI=1S/C22H19ClN6O2/c1-31-15-7-9-18-17(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)30/h2-11H,1H3,(H2,24,28)(H,26,27)(H3,25,29,30)
InChIKey
LGYQCOZSESINEQ-UHFFFAOYSA-N
Compound name
[(Z)-[amino-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]methylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.1258 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13308 199.4
[M+Na]+ 457.11502 207.2
[M-H]- 433.11852 207.3
[M+NH4]+ 452.15962 209.2
[M+K]+ 473.08896 201.3
[M+H-H2O]+ 417.12306 189.6
[M+HCOO]- 479.12400 219.9
[M+CH3COO]- 493.13965 208.3
[M+Na-2H]- 455.10047 206.0
[M]+ 434.12525 202.2
[M]- 434.12635 202.2
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.