CID 24963035

(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C20H28N4O3
SMILES
C1CCC(C1)OCC(=O)N2CCC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C20H28N4O3/c21-19(22)15-9-7-14(8-10-15)12-23-20(26)17-6-3-11-24(17)18(25)13-27-16-4-1-2-5-16/h7-10,16-17H,1-6,11-13H2,(H3,21,22)(H,23,26)/t17-/m0/s1
InChIKey
ZWXWAYUCJVQHOR-KRWDZBQOSA-N
Compound name
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-cyclopentyloxyacetyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.21616 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22344 188.5
[M+Na]+ 395.20538 188.0
[M-H]- 371.20888 195.3
[M+NH4]+ 390.24998 200.4
[M+K]+ 411.17932 185.1
[M+H-H2O]+ 355.21342 179.1
[M+HCOO]- 417.21436 207.4
[M+CH3COO]- 431.23001 222.2
[M+Na-2H]- 393.19083 183.4
[M]+ 372.21561 181.5
[M]- 372.21671 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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