CID 10220386

Glutamylamidoethyl imidazole

Structural Information

Molecular Formula
C10H16N4O3
SMILES
C1=C(NC=N1)CCNC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C10H16N4O3/c11-8(1-2-9(15)16)10(17)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,17)(H,15,16)/t8-/m0/s1
InChIKey
FLEVPMVPMJVEDN-QMMMGPOBSA-N
Compound name
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

63
Patents

240.12224 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 154.9
[M+Na]+ 263.11146 159.6
[M+NH4]+ 258.15606 158.2
[M+K]+ 279.08540 159.8
[M-H]- 239.11496 152.0
[M+Na-2H]- 261.09691 155.6
[M]+ 240.12169 153.8
[M]- 240.12279 153.8
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