CID 15954392

Schembl17066802

Structural Information

Molecular Formula
C16H30N4O4
SMILES
CCC(CC)CC(C1C(CC(C1O)C(=O)O)N=C(N)N)NC(=O)C
InChI
InChI=1S/C16H30N4O4/c1-4-9(5-2)6-11(19-8(3)21)13-12(20-16(17)18)7-10(14(13)22)15(23)24/h9-14,22H,4-7H2,1-3H3,(H,19,21)(H,23,24)(H4,17,18,20)
InChIKey
IXXKZGJQOWBBBS-UHFFFAOYSA-N
Compound name
3-(1-acetamido-3-ethylpentyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.2267 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23398 185.4
[M+Na]+ 365.21592 185.6
[M-H]- 341.21942 185.6
[M+NH4]+ 360.26052 197.7
[M+K]+ 381.18986 185.0
[M+H-H2O]+ 325.22396 178.0
[M+HCOO]- 387.22490 202.9
[M+CH3COO]- 401.24055 223.6
[M+Na-2H]- 363.20137 177.0
[M]+ 342.22615 179.9
[M]- 342.22725 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe