CID 10290999

N-hydroxysulphosuccinimidyl-4-azidobenzoate

Structural Information

Molecular Formula
C11H8N4O7S
SMILES
C1C(C(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)N=[N+]=[N-])S(=O)(=O)O
InChI
InChI=1S/C11H8N4O7S/c12-14-13-7-3-1-6(2-4-7)11(18)22-15-9(16)5-8(10(15)17)23(19,20)21/h1-4,8H,5H2,(H,19,20,21)
InChIKey
ULSXSHDMKGETEK-UHFFFAOYSA-N
Compound name
1-(4-azidobenzoyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

340.01138 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.01866 169.7
[M+Na]+ 363.00060 176.3
[M-H]- 339.00410 177.1
[M+NH4]+ 358.04520 182.6
[M+K]+ 378.97454 169.1
[M+H-H2O]+ 323.00864 166.6
[M+HCOO]- 385.00958 190.9
[M+CH3COO]- 399.02523 202.7
[M+Na-2H]- 360.98605 175.9
[M]+ 340.01083 169.8
[M]- 340.01193 169.8
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

patents stripe