CID 3488475

305849-34-7

Structural Information

Molecular Formula
C32H42N4O6
SMILES
CC(C)(C1=CC(=CC=C1)C(C)(C)NC(=O)NCC2=CC(=C(C=C2)OC)OC)NC(=O)NCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C32H42N4O6/c1-31(2,35-29(37)33-19-21-12-14-25(39-5)27(16-21)41-7)23-10-9-11-24(18-23)32(3,4)36-30(38)34-20-22-13-15-26(40-6)28(17-22)42-8/h9-18H,19-20H2,1-8H3,(H2,33,35,37)(H2,34,36,38)
InChIKey
OHVYOXIKPDXSJX-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[3-[2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.3104 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.31768 242.4
[M+Na]+ 601.29962 242.4
[M-H]- 577.30312 251.0
[M+NH4]+ 596.34422 244.3
[M+K]+ 617.27356 241.7
[M+H-H2O]+ 561.30766 230.5
[M+HCOO]- 623.30860 261.7
[M+CH3COO]- 637.32425 269.2
[M+Na-2H]- 599.28507 243.4
[M]+ 578.30985 248.2
[M]- 578.31095 248.2
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.