CID 3084833

Urea, ((4-amino-3-methoxyphenyl)(4-(diethylamino)-2-methylphenyl)methyl)-

Structural Information

Molecular Formula
C20H28N4O2
SMILES
CCN(CC)C1=CC(=C(C=C1)[C@H](C2=CC(=C(C=C2)N)OC)NC(=O)N)C
InChI
InChI=1S/C20H28N4O2/c1-5-24(6-2)15-8-9-16(13(3)11-15)19(23-20(22)25)14-7-10-17(21)18(12-14)26-4/h7-12,19H,5-6,21H2,1-4H3,(H3,22,23,25)/t19-/m0/s1
InChIKey
SSDSCKHAKSKJAC-IBGZPJMESA-N
Compound name
[(S)-(4-amino-3-methoxyphenyl)-[4-(diethylamino)-2-methylphenyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.22122 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22850 190.2
[M+Na]+ 379.21044 194.1
[M-H]- 355.21394 197.3
[M+NH4]+ 374.25504 202.1
[M+K]+ 395.18438 191.9
[M+H-H2O]+ 339.21848 180.7
[M+HCOO]- 401.21942 214.3
[M+CH3COO]- 415.23507 232.0
[M+Na-2H]- 377.19589 188.5
[M]+ 356.22067 190.2
[M]- 356.22177 190.2
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.