CID 172945

Einecs 276-284-7

Structural Information

Molecular Formula
C23H34N6O5S
SMILES
CCCCOCCN(CCOCCCC)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C23H34N6O5S/c1-4-6-12-33-14-10-28(11-15-34-13-7-5-2)19-8-9-20(21(16-19)25-18(3)30)26-27-23-24-17-22(35-23)29(31)32/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,25,30)
InChIKey
VGJJSEWJLPZTRY-UHFFFAOYSA-N
Compound name
N-[5-[bis(2-butoxyethyl)amino]-2-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

506.23114 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23842 220.9
[M+Na]+ 529.22036 220.5
[M-H]- 505.22386 228.7
[M+NH4]+ 524.26496 227.5
[M+K]+ 545.19430 214.3
[M+H-H2O]+ 489.22840 213.1
[M+HCOO]- 551.22934 244.1
[M+CH3COO]- 565.24499 251.0
[M+Na-2H]- 527.20581 222.4
[M]+ 506.23059 228.8
[M]- 506.23169 228.8
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.