CID 73747

Einecs 216-249-5

Structural Information

Molecular Formula
C23H27N5O7
SMILES
CCC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C23H27N5O7/c1-4-23(31)24-22-15-20(27(11-13-34-16(2)29)12-14-35-17(3)30)9-10-21(22)26-25-18-5-7-19(8-6-18)28(32)33/h5-10,15H,4,11-14H2,1-3H3,(H,24,31)
InChIKey
OHTHBMRATHPWLV-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-4-[(4-nitrophenyl)diazenyl]-3-(propanoylamino)anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

485.19104 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.198316 214.1
[M+Na]+ 508.180258 214.1
[M-H]- 484.183764 223.3
[M+NH4]+ 503.224863 220.1
[M+K]+ 524.154198 211.0
[M+H-H2O]+ 468.188300 206.5
[M+HCOO]- 530.189241 241.9
[M+CH3COO]- 544.204891 248.2
[M+Na-2H]- 506.165706 216.3
[M]+ 485.19049142 219.3
[M]- 485.19158858 219.3
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.