CID 135537766

Brn 6030315

Structural Information

Molecular Formula
C33H33N5O3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=C(C=C4)C)C(=C3O)N=NC(=O)COC5=CC6=CC=CC=C6C=C5
InChI
InChI=1S/C33H33N5O3/c1-23-7-11-27(12-8-23)37-17-15-36(16-18-37)22-38-30-14-9-24(2)19-29(30)32(33(38)40)35-34-31(39)21-41-28-13-10-25-5-3-4-6-26(25)20-28/h3-14,19-20,40H,15-18,21-22H2,1-2H3
InChIKey
CXCSCLSOSDOFBQ-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-methyl-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

547.25836 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.26564 235.2
[M+Na]+ 570.24758 240.0
[M-H]- 546.25108 246.2
[M+NH4]+ 565.29218 238.4
[M+K]+ 586.22152 232.5
[M+H-H2O]+ 530.25562 220.1
[M+HCOO]- 592.25656 251.1
[M+CH3COO]- 606.27221 240.6
[M+Na-2H]- 568.23303 234.6
[M]+ 547.25781 236.6
[M]- 547.25891 236.6
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.