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

1
Patents

389.1587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.165976 187.8
[M+Na]+ 412.147918 189.2
[M-H]- 388.151424 192.7
[M+NH4]+ 407.192523 200.4
[M+K]+ 428.121858 189.8
[M+H-H2O]+ 372.155960 179.8
[M+HCOO]- 434.156901 204.2
[M+CH3COO]- 448.172551 224.3
[M+Na-2H]- 410.133366 186.5
[M]+ 389.15815142 188.4
[M]- 389.15924858 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

patents stripe