CID 25113616

1-butanoyl-n-(4-carbamimidoylbenzyl)-l-prolinamide

Structural Information

Molecular Formula
C17H24N4O2
SMILES
CCCC(=O)N1CCC[C@H]1C(=O)NCC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1
InChIKey
RYAZZWWVNUWKNB-AWEZNQCLSA-N
Compound name
(2S)-1-butanoyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

316.1899 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 177.3
[M+Na]+ 339.17912 179.5
[M-H]- 315.18262 181.4
[M+NH4]+ 334.22372 190.5
[M+K]+ 355.15306 176.2
[M+H-H2O]+ 299.18716 168.4
[M+HCOO]- 361.18810 197.7
[M+CH3COO]- 375.20375 214.3
[M+Na-2H]- 337.16457 175.0
[M]+ 316.18935 172.2
[M]- 316.19045 172.2
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.