CID 6447184

1-cycloheptyloxy-3-isopropylamino-2-propanol maleate

Structural Information

Molecular Formula
C17H29NO5
SMILES
CC(C)NCC(COC1CCCCCC1)OC(=O)/C=C/C(=O)O
InChI
InChI=1S/C17H29NO5/c1-13(2)18-11-15(23-17(21)10-9-16(19)20)12-22-14-7-5-3-4-6-8-14/h9-10,13-15,18H,3-8,11-12H2,1-2H3,(H,19,20)/b10-9+
InChIKey
YPEUVOOPYNQVSD-MDZDMXLPSA-N
Compound name
(E)-4-[1-cycloheptyloxy-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.20456 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.21184 174.1
[M+Na]+ 350.19378 171.9
[M-H]- 326.19728 175.2
[M+NH4]+ 345.23838 185.3
[M+K]+ 366.16772 176.3
[M+H-H2O]+ 310.20182 167.4
[M+HCOO]- 372.20276 188.5
[M+CH3COO]- 386.21841 209.0
[M+Na-2H]- 348.17923 170.8
[M]+ 327.20401 169.4
[M]- 327.20511 169.4
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.