CID 3088118

N-(gamma-aminobutyrylglycyl)aza-15-crown-5 hydrochloride

Structural Information

Molecular Formula
C16H31N3O6
SMILES
C1COCCOCCOCCOCCN1C(=O)CNC(=O)CCCN
InChI
InChI=1S/C16H31N3O6/c17-3-1-2-15(20)18-14-16(21)19-4-6-22-8-10-24-12-13-25-11-9-23-7-5-19/h1-14,17H2,(H,18,20)
InChIKey
AMLJQROQNFMVKV-UHFFFAOYSA-N
Compound name
4-amino-N-[2-oxo-2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.22128 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22856 190.6
[M+Na]+ 384.21050 188.6
[M-H]- 360.21400 191.0
[M+NH4]+ 379.25510 191.3
[M+K]+ 400.18444 192.7
[M+H-H2O]+ 344.21854 185.2
[M+HCOO]- 406.21948 200.2
[M+CH3COO]- 420.23513 208.1
[M+Na-2H]- 382.19595 190.8
[M]+ 361.22073 183.1
[M]- 361.22183 183.1
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

No patent data available for this compound.