CID 73747

1533-76-2

Structural Information

Molecular Formula
C23H27N5O7
SMILES
CCC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C23H27N5O7/c1-4-23(31)24-22-15-20(27(11-13-34-16(2)29)12-14-35-17(3)30)9-10-21(22)26-25-18-5-7-19(8-6-18)28(32)33/h5-10,15H,4,11-14H2,1-3H3,(H,24,31)
InChIKey
OHTHBMRATHPWLV-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-4-[(4-nitrophenyl)diazenyl]-3-(propanoylamino)anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

485.19104 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.19832 211.7
[M+Na]+ 508.18026 218.9
[M+NH4]+ 503.22486 213.8
[M+K]+ 524.15420 217.7
[M-H]- 484.18376 215.9
[M+Na-2H]- 506.16571 215.7
[M]+ 485.19049 213.1
[M]- 485.19159 213.1
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.