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
1
Annotation Hits

0
References

61
Patents

165.05383 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06111 130.9
[M+Na]+ 188.04305 137.3
[M-H]- 164.04655 137.0
[M+NH4]+ 183.08765 151.2
[M+K]+ 204.01699 138.1
[M+H-H2O]+ 148.05109 123.7
[M+HCOO]- 210.05203 160.4
[M+CH3COO]- 224.06768 188.0
[M+Na-2H]- 186.02850 138.4
[M]+ 165.05328 130.6
[M]- 165.05438 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