CID 21301195

Schembl4615734

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC1=CC=C(C=C1)N(CCOCCO)CCOCCO
InChI
InChI=1S/C15H25NO4/c1-14-2-4-15(5-3-14)16(6-10-19-12-8-17)7-11-20-13-9-18/h2-5,17-18H,6-13H2,1H3
InChIKey
VRPLWSUMHMEHPT-UHFFFAOYSA-N
Compound name
2-[2-[N-[2-(2-hydroxyethoxy)ethyl]-4-methylanilino]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

283.17834 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 168.0
[M+Na]+ 306.16756 171.7
[M-H]- 282.17106 169.2
[M+NH4]+ 301.21216 182.7
[M+K]+ 322.14150 170.1
[M+H-H2O]+ 266.17560 160.3
[M+HCOO]- 328.17654 189.8
[M+CH3COO]- 342.19219 201.8
[M+Na-2H]- 304.15301 170.8
[M]+ 283.17779 172.8
[M]- 283.17889 172.8
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