CID 381651

Nsc668470

Structural Information

Molecular Formula
C38H38N4O4
SMILES
CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3N=C2CCCCCCC4=NC5=CC=CC=C5C6=C4C=C(C=C6)NC(=O)OCC
InChI
InChI=1S/C38H38N4O4/c1-3-45-37(43)39-25-19-21-27-29-13-9-11-17-33(29)41-35(31(27)23-25)15-7-5-6-8-16-36-32-24-26(40-38(44)46-4-2)20-22-28(32)30-14-10-12-18-34(30)42-36/h9-14,17-24H,3-8,15-16H2,1-2H3,(H,39,43)(H,40,44)
InChIKey
CADACECZEDSKRC-UHFFFAOYSA-N
Compound name
ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.2893 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.29658 252.9
[M+Na]+ 637.27852 256.7
[M-H]- 613.28202 258.5
[M+NH4]+ 632.32312 254.1
[M+K]+ 653.25246 249.5
[M+H-H2O]+ 597.28656 237.0
[M+HCOO]- 659.28750 266.8
[M+CH3COO]- 673.30315 256.1
[M+Na-2H]- 635.26397 257.4
[M]+ 614.28875 260.0
[M]- 614.28985 260.0
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.