CID 9554219

Urea, 1-(1-methyl-2-pyrrolidinylidene)-3-(p-nitrophenyl)-

Structural Information

Molecular Formula
C12H14N4O3
SMILES
CN\1CCC/C1=N\C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H14N4O3/c1-15-8-2-3-11(15)14-12(17)13-9-4-6-10(7-5-9)16(18)19/h4-7H,2-3,8H2,1H3,(H,13,17)/b14-11+
InChIKey
VAODBZOYKXWEQR-SDNWHVSQSA-N
Compound name
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-(4-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.1066 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.113876 156.7
[M+Na]+ 285.095818 161.1
[M-H]- 261.099324 163.3
[M+NH4]+ 280.140423 172.5
[M+K]+ 301.069758 155.1
[M+H-H2O]+ 245.103860 152.7
[M+HCOO]- 307.104801 182.4
[M+CH3COO]- 321.120451 194.1
[M+Na-2H]- 283.081266 161.9
[M]+ 262.10605142 152.3
[M]- 262.10714858 152.3
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

No patent data available for this compound.