CID 27343

15499-09-9

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CN(C)CCOC(=O)CCNC1=CC=CC=CC1=O
InChI
InChI=1S/C14H20N2O3/c1-16(2)10-11-19-14(18)8-9-15-12-6-4-3-5-7-13(12)17/h3-7H,8-11H2,1-2H3,(H,15,17)
InChIKey
ZCALLRJEILXULN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 157.8
[M+Na]+ 287.13662 160.9
[M-H]- 263.14012 163.5
[M+NH4]+ 282.18122 173.3
[M+K]+ 303.11056 165.6
[M+H-H2O]+ 247.14466 150.8
[M+HCOO]- 309.14560 182.4
[M+CH3COO]- 323.16125 205.7
[M+Na-2H]- 285.12207 161.1
[M]+ 264.14685 158.5
[M]- 264.14795 158.5
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.