CID 49770724

N-[1-(1h-imidazol-5-ylmethyl)-2-oxo-propyl]-4-methyl-2-(propanoylamino)pentanamide

Structural Information

Molecular Formula
C16H26N4O3
SMILES
CCC(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)C
InChI
InChI=1S/C16H26N4O3/c1-5-15(22)19-14(6-10(2)3)16(23)20-13(11(4)21)7-12-8-17-9-18-12/h8-10,13-14H,5-7H2,1-4H3,(H,17,18)(H,19,22)(H,20,23)
InChIKey
PVVDMBZXHCSQCC-UHFFFAOYSA-N
Compound name
N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-4-methyl-2-(propanoylamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.2005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.20778 181.5
[M+Na]+ 345.18972 182.7
[M-H]- 321.19322 180.3
[M+NH4]+ 340.23432 192.8
[M+K]+ 361.16366 181.5
[M+H-H2O]+ 305.19776 172.8
[M+HCOO]- 367.19870 197.8
[M+CH3COO]- 381.21435 212.8
[M+Na-2H]- 343.17517 177.2
[M]+ 322.19995 180.5
[M]- 322.20105 180.5
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.