CID 73748

1533-77-3

Structural Information

Molecular Formula
C23H27N5O8
SMILES
CC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C23H27N5O8/c1-15(29)24-22-13-18(27(9-11-35-16(2)30)10-12-36-17(3)31)5-7-20(22)25-26-21-8-6-19(28(32)33)14-23(21)34-4/h5-8,13-14H,9-12H2,1-4H3,(H,24,29)
InChIKey
ZQZWTTNVCIXDOF-UHFFFAOYSA-N
Compound name
2-[3-acetamido-N-(2-acetyloxyethyl)-4-[(2-methoxy-4-nitrophenyl)diazenyl]anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

501.18597 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.19325 214.2
[M+Na]+ 524.17519 221.2
[M+NH4]+ 519.21979 215.7
[M+K]+ 540.14913 220.8
[M-H]- 500.17869 217.9
[M+Na-2H]- 522.16064 217.6
[M]+ 501.18542 215.3
[M]- 501.18652 215.3
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

patents stripe