CID 135537773

Brn 6031559

Structural Information

Molecular Formula
C29H30N6O5
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=C(C=C4)C)C(=C3O)N=NC(=O)COC5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C29H30N6O5/c1-20-3-6-22(7-4-20)33-15-13-32(14-16-33)19-34-26-12-5-21(2)17-25(26)28(29(34)37)31-30-27(36)18-40-24-10-8-23(9-11-24)35(38)39/h3-12,17,37H,13-16,18-19H2,1-2H3
InChIKey
RUIZLXDUBCVTRT-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-methyl-1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.2278 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.23508 229.0
[M+Na]+ 565.21702 242.7
[M+NH4]+ 560.26162 233.2
[M+K]+ 581.19096 239.7
[M-H]- 541.22052 237.3
[M+Na-2H]- 563.20247 236.6
[M]+ 542.22725 232.9
[M]- 542.22835 232.9
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.