CID 371158

Nsc645159

Structural Information

Molecular Formula
C40H28Cl2N4O2
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=CC=C4C5=CC=CC=C5NC6=C7C=C(C=CC7=NC8=C6C=CC(=C8)Cl)OC
InChI
InChI=1S/C40H28Cl2N4O2/c1-47-25-13-17-35-31(21-25)39(29-15-11-23(41)19-37(29)43-35)45-33-9-5-3-7-27(33)28-8-4-6-10-34(28)46-40-30-16-12-24(42)20-38(30)44-36-18-14-26(48-2)22-32(36)40/h3-22H,1-2H3,(H,43,45)(H,44,46)
InChIKey
WAONKDINIIPATP-UHFFFAOYSA-N
Compound name
6-chloro-N-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]phenyl]-2-methoxyacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.15894 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.16622 256.9
[M+Na]+ 689.14816 266.8
[M-H]- 665.15166 267.9
[M+NH4]+ 684.19276 257.7
[M+K]+ 705.12210 257.3
[M+H-H2O]+ 649.15620 239.2
[M+HCOO]- 711.15714 263.8
[M+CH3COO]- 725.17279 261.0
[M+Na-2H]- 687.13361 261.8
[M]+ 666.15839 265.6
[M]- 666.15949 265.6
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

No patent data available for this compound.