CID 7019985

Arginyl-glutamine

Structural Information

Molecular Formula
C11H22N6O4
SMILES
C(C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C11H22N6O4/c12-6(2-1-5-16-11(14)15)9(19)17-7(10(20)21)3-4-8(13)18/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)/t6-,7-/m0/s1
InChIKey
PMGDADKJMCOXHX-BQBZGAKWSA-N
Compound name
(2S)-5-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1834
Patents

302.17026 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17754 170.3
[M+Na]+ 325.15948 169.9
[M-H]- 301.16298 167.9
[M+NH4]+ 320.20408 181.3
[M+K]+ 341.13342 171.3
[M+H-H2O]+ 285.16752 161.4
[M+HCOO]- 347.16846 191.5
[M+CH3COO]- 361.18411 221.2
[M+Na-2H]- 323.14493 164.9
[M]+ 302.16971 163.2
[M]- 302.17081 163.2
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