CID 135537765

Brn 6018972

Structural Information

Molecular Formula
C27H28N4O3
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC4=CC=CC=C4C=C3)O)CN5CCCCC5
InChI
InChI=1S/C27H28N4O3/c1-19-9-12-24-23(15-19)26(27(33)31(24)18-30-13-5-2-6-14-30)29-28-25(32)17-34-22-11-10-20-7-3-4-8-21(20)16-22/h3-4,7-12,15-16,33H,2,5-6,13-14,17-18H2,1H3
InChIKey
QBOJWZURRXTSOY-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-methyl-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.21616 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.22344 209.6
[M+Na]+ 479.20538 214.7
[M-H]- 455.20888 219.0
[M+NH4]+ 474.24998 218.4
[M+K]+ 495.17932 208.7
[M+H-H2O]+ 439.21342 197.1
[M+HCOO]- 501.21436 228.4
[M+CH3COO]- 515.23001 217.3
[M+Na-2H]- 477.19083 211.4
[M]+ 456.21561 210.9
[M]- 456.21671 210.9
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.