CID 112671

63467-10-7

Structural Information

Molecular Formula
C15H18N6O6S
SMILES
CC(=O)NC1=C(C=CC(=C1OC)NCC(CO)O)N=NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C15H18N6O6S/c1-8(23)18-13-10(19-20-15-17-6-12(28-15)21(25)26)3-4-11(14(13)27-2)16-5-9(24)7-22/h3-4,6,9,16,22,24H,5,7H2,1-2H3,(H,18,23)
InChIKey
JISSCSLVNOPLGN-UHFFFAOYSA-N
Compound name
N-[3-(2,3-dihydroxypropylamino)-2-methoxy-6-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.10086 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10814 187.7
[M+Na]+ 433.09008 193.4
[M+NH4]+ 428.13468 190.6
[M+K]+ 449.06402 194.0
[M-H]- 409.09358 190.6
[M+Na-2H]- 431.07553 190.9
[M]+ 410.10031 188.8
[M]- 410.10141 188.8
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.