CID 3077997

Brn 4900362

Structural Information

Molecular Formula
C42H34N8O6
SMILES
C1CN(CCN1CN2C3=CC=CC=C3C(=C2O)N=NC(=O)COC4=CC=C(C=C4)C(=O)C5=C(N=C6C(=C5)C=CC=N6)C7=CC=CC=C7)C8=CC=C(C=C8)[N+](=O)[O-]
InChI
InChI=1S/C42H34N8O6/c51-37(26-56-33-18-12-29(13-19-33)40(52)35-25-30-9-6-20-43-41(30)44-38(35)28-7-2-1-3-8-28)45-46-39-34-10-4-5-11-36(34)49(42(39)53)27-47-21-23-48(24-22-47)31-14-16-32(17-15-31)50(54)55/h1-20,25,53H,21-24,26-27H2
InChIKey
GQSNMDYRIMDHKV-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-[[4-(4-nitrophenyl)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

746.26013 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.26741 258.2
[M+Na]+ 769.24935 255.2
[M-H]- 745.25285 271.0
[M+NH4]+ 764.29395 246.9
[M+K]+ 785.22329 245.2
[M+H-H2O]+ 729.25739 242.6
[M+HCOO]- 791.25833 268.4
[M+CH3COO]- 805.27398 283.6
[M+Na-2H]- 767.23480 262.2
[M]+ 746.25958 254.9
[M]- 746.26068 254.9
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.