CID 165741870

En300-6749233

Structural Information

Molecular Formula
C15H18N4O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C3=C(C=CC(=C3)C(=O)O)N=N2
InChI
InChI=1S/C15H18N4O4/c1-15(2,3)23-14(22)18-7-10(8-18)19-12-6-9(13(20)21)4-5-11(12)16-17-19/h4-6,10H,7-8H2,1-3H3,(H,20,21)
InChIKey
JUJGPGOLZLAINC-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]benzotriazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1328 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14008 176.5
[M+Na]+ 341.12202 183.3
[M-H]- 317.12552 178.0
[M+NH4]+ 336.16662 181.3
[M+K]+ 357.09596 183.8
[M+H-H2O]+ 301.13006 162.6
[M+HCOO]- 363.13100 189.7
[M+CH3COO]- 377.14665 206.3
[M+Na-2H]- 339.10747 178.0
[M]+ 318.13225 188.3
[M]- 318.13335 188.3
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.