CID 117040

71173-71-2

Structural Information

Molecular Formula
C35H44N6O
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)NC(=O)NC(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C35H44N6O/c1-38(2)29-17-9-25(10-18-29)33(26-11-19-30(20-12-26)39(3)4)36-35(42)37-34(27-13-21-31(22-14-27)40(5)6)28-15-23-32(24-16-28)41(7)8/h9-24,33-34H,1-8H3,(H2,36,37,42)
InChIKey
ONHAAEYDHJUYKJ-UHFFFAOYSA-N
Compound name
1,3-bis[bis[4-(dimethylamino)phenyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.35767 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.36495 247.5
[M+Na]+ 587.34689 257.5
[M+NH4]+ 582.39149 253.1
[M+K]+ 603.32083 250.0
[M-H]- 563.35039 259.5
[M+Na-2H]- 585.33234 257.8
[M]+ 564.35712 252.2
[M]- 564.35822 252.2
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.