CID 17499429

70826-97-0

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CC(C)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O3/c1-7(2)11-10(14)12-8-3-5-9(6-4-8)13(15)16/h3-7H,1-2H3,(H2,11,12,14)
InChIKey
XGVIFLDCYYMICD-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 146.6
[M+Na]+ 246.08491 151.3
[M-H]- 222.08841 150.2
[M+NH4]+ 241.12951 163.2
[M+K]+ 262.05885 146.2
[M+H-H2O]+ 206.09295 144.3
[M+HCOO]- 268.09389 172.4
[M+CH3COO]- 282.10954 187.6
[M+Na-2H]- 244.07036 152.7
[M]+ 223.09514 143.7
[M]- 223.09624 143.7
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

No patent data available for this compound.