CID 226638

2,2-dimethyl-n-phenylhydrazinecarboxamide

Structural Information

Molecular Formula
C9H13N3O
SMILES
CN(C)NC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C9H13N3O/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,11,13)
InChIKey
BLLVAMIYYPAARX-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

179.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 138.8
[M+Na]+ 202.095088 143.8
[M-H]- 178.098594 143.8
[M+NH4]+ 197.139693 158.3
[M+K]+ 218.069028 143.7
[M+H-H2O]+ 162.103130 131.6
[M+HCOO]- 224.104071 166.3
[M+CH3COO]- 238.119721 190.2
[M+Na-2H]- 200.080536 145.8
[M]+ 179.10532142 137.6
[M]- 179.10641858 137.6
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