CID 3049256

64633-42-7

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=CC=CC=C1N(C2=CC=CC=C2C)C(=O)N
InChI
InChI=1S/C15H16N2O/c1-11-7-3-5-9-13(11)17(15(16)18)14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,18)
InChIKey
UUDHOBLDAUSWQZ-UHFFFAOYSA-N
Compound name
1,1-bis(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

240.12627 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.5
[M+Na]+ 263.11549 162.1
[M-H]- 239.11899 163.4
[M+NH4]+ 258.16009 172.9
[M+K]+ 279.08943 159.4
[M+H-H2O]+ 223.12353 147.6
[M+HCOO]- 285.12447 181.0
[M+CH3COO]- 299.14012 201.3
[M+Na-2H]- 261.10094 159.3
[M]+ 240.12572 154.6
[M]- 240.12682 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe