CID 438995

Nsc695937

Structural Information

Molecular Formula
C38H39N7O4
SMILES
CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C(=C(C=C5)[N+](=O)[O-])NC7=CC=CC=C7C6=O
InChI
InChI=1S/C38H39N7O4/c1-22-25-15-18-41-38(33(25)23(2)32-27-21-24(49-4)11-12-29(27)42-35(22)32)40-17-8-20-44(3)19-7-16-39-30-13-14-31(45(47)48)36-34(30)37(46)26-9-5-6-10-28(26)43-36/h5-6,9-15,18,21,39,42H,7-8,16-17,19-20H2,1-4H3,(H,40,41)(H,43,46)
InChIKey
LFFKRZHEMULXRM-UHFFFAOYSA-N
Compound name
1-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-4-nitro-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

657.30634 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.31362 251.8
[M+Na]+ 680.29556 255.0
[M-H]- 656.29906 258.0
[M+NH4]+ 675.34016 251.3
[M+K]+ 696.26950 243.8
[M+H-H2O]+ 640.30360 241.3
[M+HCOO]- 702.30454 266.1
[M+CH3COO]- 716.32019 276.8
[M+Na-2H]- 678.28101 259.6
[M]+ 657.30579 257.0
[M]- 657.30689 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.