CID 22649

1-nitroso-1-phenylurea

Structural Information

Molecular Formula
C7H7N3O2
SMILES
C1=CC=C(C=C1)N(C(=O)N)N=O
InChI
InChI=1S/C7H7N3O2/c8-7(11)10(9-12)6-4-2-1-3-5-6/h1-5H,(H2,8,11)
InChIKey
ZJIKTJCGLLUNIJ-UHFFFAOYSA-N
Compound name
1-nitroso-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

98
Patents

165.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 130.9
[M+Na]+ 188.043048 137.3
[M-H]- 164.046554 137.0
[M+NH4]+ 183.087653 151.2
[M+K]+ 204.016988 138.1
[M+H-H2O]+ 148.051090 123.7
[M+HCOO]- 210.052031 160.4
[M+CH3COO]- 224.067681 188.0
[M+Na-2H]- 186.028496 138.4
[M]+ 165.05328142 130.6
[M]- 165.05437858 130.6
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