CID 105340

66214-53-7

Structural Information

Molecular Formula
C22H24ClN5O7
SMILES
CC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C22H24ClN5O7/c1-14(29)24-22-12-17(27(8-10-34-15(2)30)9-11-35-16(3)31)5-7-20(22)25-26-21-13-18(28(32)33)4-6-19(21)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)
InChIKey
FECKWPGJFHACBC-UHFFFAOYSA-N
Compound name
2-[3-acetamido-N-(2-acetyloxyethyl)-4-[(2-chloro-5-nitrophenyl)diazenyl]anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.1364 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.14368 213.5
[M+Na]+ 528.12562 222.1
[M+NH4]+ 523.17022 216.1
[M+K]+ 544.09956 220.4
[M-H]- 504.12912 217.9
[M+Na-2H]- 526.11107 217.6
[M]+ 505.13585 215.5
[M]- 505.13695 215.5
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.