CID 21156100

73157-51-4

Structural Information

Molecular Formula
C22H26ClN5O5
SMILES
CCCCOC(=O)C(C)(C)NC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C
InChI
InChI=1S/C22H26ClN5O5/c1-5-6-11-33-21(30)22(3,4)25-15-7-9-19(20(12-15)24-14(2)29)27-26-18-10-8-16(28(31)32)13-17(18)23/h7-10,12-13,25H,5-6,11H2,1-4H3,(H,24,29)
InChIKey
ATNMFDKDZQKKBF-UHFFFAOYSA-N
Compound name
butyl 2-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.16223 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.16951 214.0
[M+Na]+ 498.15145 216.6
[M-H]- 474.15495 222.5
[M+NH4]+ 493.19605 221.6
[M+K]+ 514.12539 210.0
[M+H-H2O]+ 458.15949 209.0
[M+HCOO]- 520.16043 236.2
[M+CH3COO]- 534.17608 243.6
[M+Na-2H]- 496.13690 218.0
[M]+ 475.16168 219.0
[M]- 475.16278 219.0
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.