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
2
Annotation Hits

0
References

6
Patents

471.17538 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.182656 209.5
[M+Na]+ 494.164598 210.0
[M-H]- 470.168104 218.9
[M+NH4]+ 489.209203 216.1
[M+K]+ 510.138538 207.1
[M+H-H2O]+ 454.172640 202.2
[M+HCOO]- 516.173581 237.6
[M+CH3COO]- 530.189231 245.3
[M+Na-2H]- 492.150046 212.2
[M]+ 471.17483142 214.4
[M]- 471.17592858 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

patents stripe