CID 3059183

76210-78-1

Structural Information

Molecular Formula
C20H27N3O5
SMILES
COC1=C(C=C(C=C1)CCNCC(COC2=CC=C(C=C2)NC(=O)N)O)OC
InChI
InChI=1S/C20H27N3O5/c1-26-18-8-3-14(11-19(18)27-2)9-10-22-12-16(24)13-28-17-6-4-15(5-7-17)23-20(21)25/h3-8,11,16,22,24H,9-10,12-13H2,1-2H3,(H3,21,23,25)
InChIKey
QYSAWAJGIQMORQ-UHFFFAOYSA-N
Compound name
[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.19507 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.20235 192.0
[M+Na]+ 412.18429 194.5
[M-H]- 388.18779 196.2
[M+NH4]+ 407.22889 201.1
[M+K]+ 428.15823 192.3
[M+H-H2O]+ 372.19233 182.1
[M+HCOO]- 434.19327 214.3
[M+CH3COO]- 448.20892 227.1
[M+Na-2H]- 410.16974 192.4
[M]+ 389.19452 194.3
[M]- 389.19562 194.3
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.