CID 172945

72010-87-8

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 219.0
[M+Na]+ 529.22036 224.7
[M+NH4]+ 524.26496 222.1
[M+K]+ 545.19430 221.8
[M-H]- 505.22386 223.4
[M+Na-2H]- 527.20581 222.5
[M]+ 506.23059 220.7
[M]- 506.23169 220.7
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.