CID 46878528

Imidazolysine

Structural Information

Molecular Formula
C16H29N4O4
SMILES
CC1=C[N+](=CN1CCCC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C16H28N4O4/c1-12-10-19(8-4-2-6-13(17)15(21)22)11-20(12)9-5-3-7-14(18)16(23)24/h10-11,13-14H,2-9,17-18H2,1H3,(H-,21,22,23,24)/p+1/t13-,14-/m0/s1
InChIKey
NVJLIMSDAPOFHF-KBPBESRZSA-O
Compound name
(2S)-2-amino-6-[3-[(5S)-5-amino-5-carboxypentyl]-5-methylimidazol-3-ium-1-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

341.21887 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.22615 180.6
[M+Na]+ 364.20809 185.8
[M+NH4]+ 359.25269 183.2
[M+K]+ 380.18203 187.3
[M-H]- 340.21159 178.6
[M+Na-2H]- 362.19354 179.3
[M]+ 341.21832 180.1
[M]- 341.21942 180.1
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

patents stripe