CID 135599729

Brn 6030777

Structural Information

Molecular Formula
C32H31N5O3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CN3C4=CC=CC=C4C(=C3O)N=NC(=O)COC5=CC6=CC=CC=C6C=C5
InChI
InChI=1S/C32H31N5O3/c1-23-10-13-26(14-11-23)36-18-16-35(17-19-36)22-37-29-9-5-4-8-28(29)31(32(37)39)34-33-30(38)21-40-27-15-12-24-6-2-3-7-25(24)20-27/h2-15,20,39H,16-19,21-22H2,1H3
InChIKey
KWBZNJAXBMDBON-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.2427 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.24998 229.1
[M+Na]+ 556.23192 233.5
[M-H]- 532.23542 239.9
[M+NH4]+ 551.27652 232.6
[M+K]+ 572.20586 226.2
[M+H-H2O]+ 516.23996 214.0
[M+HCOO]- 578.24090 245.4
[M+CH3COO]- 592.25655 234.7
[M+Na-2H]- 554.21737 229.9
[M]+ 533.24215 229.7
[M]- 533.24325 229.7
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.