CID 117041

E2xvr3k74x

Structural Information

Molecular Formula
C18H24N4O
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)NC(=O)N
InChI
InChI=1S/C18H24N4O/c1-21(2)15-9-5-13(6-10-15)17(20-18(19)23)14-7-11-16(12-8-14)22(3)4/h5-12,17H,1-4H3,(H3,19,20,23)
InChIKey
FWSHXIWSIVMIHW-UHFFFAOYSA-N
Compound name
bis[4-(dimethylamino)phenyl]methylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

312.195 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.202276 177.7
[M+Na]+ 335.184218 180.9
[M-H]- 311.187724 186.3
[M+NH4]+ 330.228823 191.7
[M+K]+ 351.158158 179.9
[M+H-H2O]+ 295.192260 168.2
[M+HCOO]- 357.193201 203.5
[M+CH3COO]- 371.208851 225.0
[M+Na-2H]- 333.169666 178.7
[M]+ 312.19445142 177.0
[M]- 312.19554858 177.0
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.