CID 25203168

(4-{4-[2-(gamma-l-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine

Structural Information

Molecular Formula
C19H25N3O5
SMILES
C1=CC(=CC=C1CCNC(=O)CC[C@@H](C(=O)O)N)OCC2=COC(=C2)CN
InChI
InChI=1S/C19H25N3O5/c20-10-16-9-14(12-27-16)11-26-15-3-1-13(2-4-15)7-8-22-18(23)6-5-17(21)19(24)25/h1-4,9,12,17H,5-8,10-11,20-21H2,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKey
NYIWEBCNBZGUSO-KRWDZBQOSA-N
Compound name
(2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

375.1794 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18668 192.5
[M+Na]+ 398.16862 197.8
[M+NH4]+ 393.21322 195.6
[M+K]+ 414.14256 196.9
[M-H]- 374.17212 194.9
[M+Na-2H]- 396.15407 193.8
[M]+ 375.17885 193.1
[M]- 375.17995 193.1
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

No patent data available for this compound.