CID 15954393

Schembl17066804

Structural Information

Molecular Formula
C14H26N4O4
SMILES
CCCCC(C1C(CC(C1O)C(=O)O)N=C(N)N)NC(=O)C
InChI
InChI=1S/C14H26N4O4/c1-3-4-5-9(17-7(2)19)11-10(18-14(15)16)6-8(12(11)20)13(21)22/h8-12,20H,3-6H2,1-2H3,(H,17,19)(H,21,22)(H4,15,16,18)
InChIKey
QCPXCCDEZHDWII-UHFFFAOYSA-N
Compound name
3-(1-acetamidopentyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.1954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20268 175.8
[M+Na]+ 337.18462 177.1
[M-H]- 313.18812 176.4
[M+NH4]+ 332.22922 189.4
[M+K]+ 353.15856 176.3
[M+H-H2O]+ 297.19266 168.5
[M+HCOO]- 359.19360 195.0
[M+CH3COO]- 373.20925 216.7
[M+Na-2H]- 335.17007 169.7
[M]+ 314.19485 170.2
[M]- 314.19595 170.2
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