CID 44152847

Urea, n,n''-(methylenedi-4,1-phenylene)bis(n'-(4-dodecylphenyl)-

Structural Information

Molecular Formula
C51H72N4O2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)CCCCCCCCCCCC
InChI
InChI=1S/C51H72N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-42-25-33-46(34-26-42)52-50(56)54-48-37-29-44(30-38-48)41-45-31-39-49(40-32-45)55-51(57)53-47-35-27-43(28-36-47)24-22-20-18-16-14-12-10-8-6-4-2/h25-40H,3-24,41H2,1-2H3,(H2,52,54,56)(H2,53,55,57)
InChIKey
PADKNGVHDDBHBP-UHFFFAOYSA-N
Compound name
1-(4-dodecylphenyl)-3-[4-[[4-[(4-dodecylphenyl)carbamoylamino]phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

772.56555 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.57283 299.6
[M+Na]+ 795.55477 291.5
[M-H]- 771.55827 306.1
[M+NH4]+ 790.59937 292.3
[M+K]+ 811.52871 282.0
[M+H-H2O]+ 755.56281 282.7
[M+HCOO]- 817.56375 315.6
[M+CH3COO]- 831.57940 305.8
[M+Na-2H]- 793.54022 291.3
[M]+ 772.56500 303.3
[M]- 772.56610 303.3
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.