CID 3085914

72987-38-3

Structural Information

Molecular Formula
C20H23N5O5
SMILES
CCC(=O)NC1=C(C=CC(=C1)NCCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C20H23N5O5/c1-4-20(27)22-19-12-15(21-9-10-30-14(3)26)5-7-18(19)24-23-17-8-6-16(25(28)29)11-13(17)2/h5-8,11-12,21H,4,9-10H2,1-3H3,(H,22,27)
InChIKey
NZDWVVBVRIKJOJ-UHFFFAOYSA-N
Compound name
2-[4-[(2-methyl-4-nitrophenyl)diazenyl]-3-(propanoylamino)anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16992 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17720 196.4
[M+Na]+ 436.15914 199.0
[M-H]- 412.16264 205.2
[M+NH4]+ 431.20374 205.5
[M+K]+ 452.13308 193.6
[M+H-H2O]+ 396.16718 189.9
[M+HCOO]- 458.16812 225.3
[M+CH3COO]- 472.18377 234.2
[M+Na-2H]- 434.14459 200.5
[M]+ 413.16937 198.7
[M]- 413.17047 198.7
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.