CID 2826443

(2,4,6-trimethylphenyl)urea

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)N)C
InChI
InChI=1S/C10H14N2O/c1-6-4-7(2)9(8(3)5-6)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13)
InChIKey
CTXZGDFFAGQHGE-UHFFFAOYSA-N
Compound name
(2,4,6-trimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

178.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.1
[M+Na]+ 201.09983 147.3
[M-H]- 177.10333 143.2
[M+NH4]+ 196.14443 159.2
[M+K]+ 217.07377 145.2
[M+H-H2O]+ 161.10787 133.3
[M+HCOO]- 223.10881 164.2
[M+CH3COO]- 237.12446 188.3
[M+Na-2H]- 199.08528 142.8
[M]+ 178.11006 138.0
[M]- 178.11116 138.0
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

patents stripe