CID 215029

P-dimethylaminophenylurea

Structural Information

Molecular Formula
C9H13N3O
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)N
InChI
InChI=1S/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13)
InChIKey
NKQIQZQGJMJLAK-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

179.10587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.0
[M+Na]+ 202.09509 144.9
[M-H]- 178.09859 143.8
[M+NH4]+ 197.13969 158.5
[M+K]+ 218.06903 144.4
[M+H-H2O]+ 162.10313 132.1
[M+HCOO]- 224.10407 165.9
[M+CH3COO]- 238.11972 191.5
[M+Na-2H]- 200.08054 144.1
[M]+ 179.10532 137.2
[M]- 179.10642 137.2
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

patents stripe