CID 9610404

769153-23-3

Structural Information

Molecular Formula
C29H24BrN3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C29H24BrN3O5/c1-2-16-37-23-13-10-20(11-14-23)29(36)38-26-15-12-22(30)17-21(26)18-31-33-28(35)27(34)32-25-9-5-7-19-6-3-4-8-24(19)25/h3-15,17-18H,2,16H2,1H3,(H,32,34)(H,33,35)/b31-18+
InChIKey
PJIDMPBZIYNQFM-FDAWAROLSA-N
Compound name
[4-bromo-2-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.0899 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.09718 227.7
[M+Na]+ 596.07912 232.1
[M-H]- 572.08262 239.6
[M+NH4]+ 591.12372 234.6
[M+K]+ 612.05306 221.3
[M+H-H2O]+ 556.08716 221.0
[M+HCOO]- 618.08810 247.3
[M+CH3COO]- 632.10375 254.7
[M+Na-2H]- 594.06457 229.8
[M]+ 573.08935 248.3
[M]- 573.09045 248.3
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.