CID 25203168

(4-{4-[2-(gamma-l-glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine(1+)

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 191.0
[M+Na]+ 398.16862 192.9
[M-H]- 374.17212 195.4
[M+NH4]+ 393.21322 200.5
[M+K]+ 414.14256 191.3
[M+H-H2O]+ 358.17666 181.9
[M+HCOO]- 420.17760 212.0
[M+CH3COO]- 434.19325 222.6
[M+Na-2H]- 396.15407 188.9
[M]+ 375.17885 191.6
[M]- 375.17995 191.6
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.