CID 91895252

61703-11-5

Structural Information

Molecular Formula
C22H25N5O7
SMILES
CC(=O)NC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C22H25N5O7/c1-15(28)23-21-14-19(6-9-22(21)27(31)32)25-24-18-4-7-20(8-5-18)26(10-12-33-16(2)29)11-13-34-17(3)30/h4-9,14H,10-13H2,1-3H3,(H,23,28)
InChIKey
AQMBXXOAUHJZIT-UHFFFAOYSA-N
Compound name
2-[4-[(3-acetamido-4-nitrophenyl)diazenyl]-N-(2-acetyloxyethyl)anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.17538 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18266 209.5
[M+Na]+ 494.16460 210.0
[M-H]- 470.16810 218.9
[M+NH4]+ 489.20920 216.1
[M+K]+ 510.13854 207.1
[M+H-H2O]+ 454.17264 202.2
[M+HCOO]- 516.17358 237.6
[M+CH3COO]- 530.18923 245.3
[M+Na-2H]- 492.15005 212.2
[M]+ 471.17483 214.4
[M]- 471.17593 214.4
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.