CID 6483682

Carbamic acid, [(1s)-1-[[(3a'r,6a's)-1'-(cyclopropylcarbonyl)hexahydro-2'-oxospiro[cyclopentane-1,3'(4'h)-pyrrolo[3,2-b]pyrrol]-4'-yl]carbonyl]-2-methylpropyl]-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C24H37N3O5
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCCC3)C(=O)N2C(=O)C4CC4)NC(=O)OC(C)(C)C
InChI
InChI=1S/C24H37N3O5/c1-14(2)17(25-22(31)32-23(3,4)5)20(29)26-13-10-16-18(26)24(11-6-7-12-24)21(30)27(16)19(28)15-8-9-15/h14-18H,6-13H2,1-5H3,(H,25,31)/t16-,17-,18-/m0/s1
InChIKey
VLQRETHGSHZMDM-BZSNNMDCSA-N
Compound name
tert-butyl N-[(2S)-1-[(3aS,6aR)-4-(cyclopropanecarbonyl)-5-oxospiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,1'-cyclopentane]-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.27332 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.28060 208.2
[M+Na]+ 470.26254 210.9
[M-H]- 446.26604 214.6
[M+NH4]+ 465.30714 217.8
[M+K]+ 486.23648 208.0
[M+H-H2O]+ 430.27058 205.4
[M+HCOO]- 492.27152 217.1
[M+CH3COO]- 506.28717 233.2
[M+Na-2H]- 468.24799 200.3
[M]+ 447.27277 209.6
[M]- 447.27387 209.6
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.