CID 494854

Nsc633985

Structural Information

Molecular Formula
C15H18N4O4
SMILES
CC1(OCC(O1)C2C(C(=O)N2C3=CC=C(C=C3)OC)N=[N+]=[N-])C
InChI
InChI=1S/C15H18N4O4/c1-15(2)22-8-11(23-15)13-12(17-18-16)14(20)19(13)9-4-6-10(21-3)7-5-9/h4-7,11-13H,8H2,1-3H3
InChIKey
VDKDFDANZWORNP-UHFFFAOYSA-N
Compound name
3-azido-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(4-methoxyphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14008 167.0
[M+Na]+ 341.12202 171.5
[M-H]- 317.12552 178.9
[M+NH4]+ 336.16662 174.5
[M+K]+ 357.09596 170.7
[M+H-H2O]+ 301.13006 157.6
[M+HCOO]- 363.13100 190.7
[M+CH3COO]- 377.14665 212.4
[M+Na-2H]- 339.10747 173.5
[M]+ 318.13225 176.1
[M]- 318.13335 176.1
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.