CID 131709214

2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methyl-2-(pyrrolidine-2-carbonyl)pentanoic acid

Structural Information

Molecular Formula
C18H30N4O5
SMILES
CC(C)CC(C(=O)C1CCCN1)(C(=O)O)N(C(=O)CN)C(=O)C2CCCN2
InChI
InChI=1S/C18H30N4O5/c1-11(2)9-18(17(26)27,15(24)12-5-3-7-20-12)22(14(23)10-19)16(25)13-6-4-8-21-13/h11-13,20-21H,3-10,19H2,1-2H3,(H,26,27)
InChIKey
SGZCXBHPDPXTIE-UHFFFAOYSA-N
Compound name
2-[(2-aminoacetyl)-(pyrrolidine-2-carbonyl)amino]-4-methyl-2-(pyrrolidine-2-carbonyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.22162 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22890 190.6
[M+Na]+ 405.21084 187.4
[M-H]- 381.21434 190.0
[M+NH4]+ 400.25544 199.2
[M+K]+ 421.18478 187.3
[M+H-H2O]+ 365.21888 183.1
[M+HCOO]- 427.21982 199.6
[M+CH3COO]- 441.23547 217.7
[M+Na-2H]- 403.19629 182.9
[M]+ 382.22107 181.9
[M]- 382.22217 181.9
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.