CID 439011

Nsc695945

Structural Information

Molecular Formula
C37H37ClN8O2
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN4CCN(CC4)CCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O
InChI
InChI=1S/C37H37ClN8O2/c1-48-25-9-11-29-28(23-25)35(26-10-8-24(38)22-32(26)41-29)40-15-5-17-45-20-18-44(19-21-45)16-4-14-39-30-12-13-31-36-34(30)37(47)27-6-2-3-7-33(27)46(36)43-42-31/h2-3,6-13,22-23,39H,4-5,14-21H2,1H3,(H,40,41)
InChIKey
JYDQVJIJQJVLIZ-UHFFFAOYSA-N
Compound name
10-[3-[4-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.2728 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.28008 250.7
[M+Na]+ 683.26202 257.4
[M-H]- 659.26552 255.1
[M+NH4]+ 678.30662 248.8
[M+K]+ 699.23596 246.4
[M+H-H2O]+ 643.27006 232.8
[M+HCOO]- 705.27100 254.2
[M+CH3COO]- 719.28665 252.5
[M+Na-2H]- 681.24747 254.3
[M]+ 660.27225 257.0
[M]- 660.27335 257.0
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.