CID 129914

N-acetylglutaminylglutamine amide

Structural Information

Molecular Formula
C12H21N5O5
SMILES
CC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N
InChI
InChI=1S/C12H21N5O5/c1-6(18)16-8(3-5-10(14)20)12(22)17-7(11(15)21)2-4-9(13)19/h7-8H,2-5H2,1H3,(H2,13,19)(H2,14,20)(H2,15,21)(H,16,18)(H,17,22)/t7-,8-/m0/s1
InChIKey
KLQXKYZBJWERSF-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

110
Patents

315.15427 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16155 173.7
[M+Na]+ 338.14349 172.1
[M+NH4]+ 333.18809 194.9
[M+K]+ 354.11743 174.6
[M-H]- 314.14699 169.0
[M+Na-2H]- 336.12894 168.9
[M]+ 315.15372 170.6
[M]- 315.15482 170.6
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

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