CID 3018466

73862-12-1

Structural Information

Molecular Formula
C23H24ClN5O6
SMILES
CCC(=O)OCCN(CCOC(=O)CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl
InChI
InChI=1S/C23H24ClN5O6/c1-3-22(30)34-11-9-28(10-12-35-23(31)4-2)17-5-8-21(19(24)14-17)27-26-20-7-6-18(29(32)33)13-16(20)15-25/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKey
WJYMHQGRBUEXPP-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(2-propanoyloxyethyl)anilino]ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.1415 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.14878 225.2
[M+Na]+ 524.13072 229.8
[M-H]- 500.13422 232.2
[M+NH4]+ 519.17532 231.1
[M+K]+ 540.10466 223.4
[M+H-H2O]+ 484.13876 212.6
[M+HCOO]- 546.13970 243.9
[M+CH3COO]- 560.15535 252.7
[M+Na-2H]- 522.11617 224.7
[M]+ 501.14095 227.4
[M]- 501.14205 227.4
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.