CID 10810509

Chembl107471

Structural Information

Molecular Formula
C18H24N4O6
SMILES
C[C@@H](C(=O)N1CCC(CC1)OCC(=O)O)NC(=O)C2=CC=C(C=C2)/C(=N/O)/N
InChI
InChI=1S/C18H24N4O6/c1-11(18(26)22-8-6-14(7-9-22)28-10-15(23)24)20-17(25)13-4-2-12(3-5-13)16(19)21-27/h2-5,11,14,27H,6-10H2,1H3,(H2,19,21)(H,20,25)(H,23,24)/t11-/m0/s1
InChIKey
IGVCMKIDNIJWLV-NSHDSACASA-N
Compound name
2-[1-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

392.1696 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.17688 188.7
[M+Na]+ 415.15882 192.1
[M+NH4]+ 410.20342 190.1
[M+K]+ 431.13276 191.9
[M-H]- 391.16232 188.1
[M+Na-2H]- 413.14427 189.1
[M]+ 392.16905 187.8
[M]- 392.17015 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe