CID 393668

Nsc695935

Structural Information

Molecular Formula
C51H64N10O3
SMILES
CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC(=O)NCCCN(C)CCCNC5=NC=CC6=C(C7=C(C(=C65)C)C8=C(N7)C=CC(=C8)OC)C
InChI
InChI=1S/C51H64N10O3/c1-31-37-17-23-54-49(45(37)33(3)43-39-29-35(63-7)13-15-41(39)58-47(31)43)52-19-9-25-60(5)27-11-21-56-51(62)57-22-12-28-61(6)26-10-20-53-50-46-34(4)44-40-30-36(64-8)14-16-42(40)59-48(44)32(2)38(46)18-24-55-50/h13-18,23-24,29-30,58-59H,9-12,19-22,25-28H2,1-8H3,(H,52,54)(H,53,55)(H2,56,57,62)
InChIKey
SWDWZHPHTXQXEU-UHFFFAOYSA-N
Compound name
1,3-bis[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

864.5163 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.52358 283.4
[M+Na]+ 887.50552 294.8
[M-H]- 863.50902 282.1
[M+NH4]+ 882.55012 288.6
[M+K]+ 903.47946 288.4
[M+H-H2O]+ 847.51356 266.6
[M+HCOO]- 909.51450 288.9
[M+CH3COO]- 923.53015 291.2
[M+Na-2H]- 885.49097 298.8
[M]+ 864.51575 327.2
[M]- 864.51685 327.2
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.