CID 3051808

67916-95-4

Structural Information

Molecular Formula
C19H23N3O6
SMILES
CC(=O)N(C(=O)C)NC(=O)OC1CC2CCC(C1)N2C(=O)OC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O6/c1-12(23)22(13(2)24)20-18(25)27-17-10-14-8-9-15(11-17)21(14)19(26)28-16-6-4-3-5-7-16/h3-7,14-15,17H,8-11H2,1-2H3,(H,20,25)
InChIKey
LCVPGQIEIBFPDS-UHFFFAOYSA-N
Compound name
phenyl 3-[(diacetylamino)carbamoyloxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16598 187.8
[M+Na]+ 412.14792 189.2
[M-H]- 388.15142 192.7
[M+NH4]+ 407.19252 200.4
[M+K]+ 428.12186 189.8
[M+H-H2O]+ 372.15596 179.8
[M+HCOO]- 434.15690 204.2
[M+CH3COO]- 448.17255 224.3
[M+Na-2H]- 410.13337 186.5
[M]+ 389.15815 188.4
[M]- 389.15925 188.4
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.