CID 438993

Nsc695936

Structural Information

Molecular Formula
C38H38N8O2
SMILES
CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O
InChI
InChI=1S/C38H38N8O2/c1-22-25-15-18-41-38(33(25)23(2)32-27-21-24(48-4)11-12-28(27)42-35(22)32)40-17-8-20-45(3)19-7-16-39-29-13-14-30-36-34(29)37(47)26-9-5-6-10-31(26)46(36)44-43-30/h5-6,9-15,18,21,39,42H,7-8,16-17,19-20H2,1-4H3,(H,40,41)
InChIKey
CHAAUOYAMXYTLU-UHFFFAOYSA-N
Compound name
10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14,15-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

638.31177 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.31905 248.9
[M+Na]+ 661.30099 256.9
[M-H]- 637.30449 255.7
[M+NH4]+ 656.34559 251.7
[M+K]+ 677.27493 248.0
[M+H-H2O]+ 621.30903 235.0
[M+HCOO]- 683.30997 262.4
[M+CH3COO]- 697.32562 253.1
[M+Na-2H]- 659.28644 252.7
[M]+ 638.31122 259.7
[M]- 638.31232 259.7
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.