CID 438997

Nsc695938

Structural Information

Molecular Formula
C39H39N7O2
SMILES
CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C7=C(C=C5)N=CN7C8=CC=CC=C8C6=O
InChI
InChI=1S/C39H39N7O2/c1-23-26-15-18-42-39(34(26)24(2)33-28-21-25(48-4)11-12-29(28)44-36(23)33)41-17-8-20-45(3)19-7-16-40-30-13-14-31-37-35(30)38(47)27-9-5-6-10-32(27)46(37)22-43-31/h5-6,9-15,18,21-22,40,44H,7-8,16-17,19-20H2,1-4H3,(H,41,42)
InChIKey
ODYSCXWHTBLJEX-UHFFFAOYSA-N
Compound name
10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14-diazatetracyclo[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

637.3165 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.32378 250.0
[M+Na]+ 660.30572 257.6
[M-H]- 636.30922 257.7
[M+NH4]+ 655.35032 254.1
[M+K]+ 676.27966 248.9
[M+H-H2O]+ 620.31376 236.3
[M+HCOO]- 682.31470 264.4
[M+CH3COO]- 696.33035 254.4
[M+Na-2H]- 658.29117 253.2
[M]+ 637.31595 260.7
[M]- 637.31705 260.7
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.