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
2
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]+ 565.364946 245.6
[M+Na]+ 587.346888 243.2
[M-H]- 563.350394 261.1
[M+NH4]+ 582.391493 248.8
[M+K]+ 603.320828 243.1
[M+H-H2O]+ 547.354930 231.3
[M+HCOO]- 609.355871 269.8
[M+CH3COO]- 623.371521 284.6
[M+Na-2H]- 585.332336 242.1
[M]+ 564.35712142 247.6
[M]- 564.35821858 247.6
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.