CID 3077996

Brn 4900043

Structural Information

Molecular Formula
C43H37N7O5
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CN3C4=CC=CC=C4C(=C3O)N=NC(=O)COC5=CC=C(C=C5)C(=O)C6=C(N=C7C(=C6)C=CC=N7)C8=CC=CC=C8
InChI
InChI=1S/C43H37N7O5/c1-54-33-19-15-32(16-20-33)49-24-22-48(23-25-49)28-50-37-12-6-5-11-35(37)40(43(50)53)47-46-38(51)27-55-34-17-13-30(14-18-34)41(52)36-26-31-10-7-21-44-42(31)45-39(36)29-8-3-2-4-9-29/h2-21,26,53H,22-25,27-28H2,1H3
InChIKey
LPSJZTIEXRKJCR-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]indol-3-yl]imino-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.28564 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.29292 263.5
[M+Na]+ 754.27486 264.3
[M-H]- 730.27836 276.4
[M+NH4]+ 749.31946 254.3
[M+K]+ 770.24880 257.2
[M+H-H2O]+ 714.28290 244.1
[M+HCOO]- 776.28384 273.3
[M+CH3COO]- 790.29949 264.1
[M+Na-2H]- 752.26031 262.6
[M]+ 731.28509 263.8
[M]- 731.28619 263.8
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.