CID 9589540

119033-92-0

Structural Information

Molecular Formula
C14H16N4O2
SMILES
CN1C=CC=C1/C=N/NC(=O)NC2=CC(=CC=C2)OC
InChI
InChI=1S/C14H16N4O2/c1-18-8-4-6-12(18)10-15-17-14(19)16-11-5-3-7-13(9-11)20-2/h3-10H,1-2H3,(H2,16,17,19)/b15-10+
InChIKey
SSPJOVCZZVRSES-XNTDXEJSSA-N
Compound name
1-(3-methoxyphenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13460 161.1
[M+Na]+ 295.11654 167.5
[M-H]- 271.12004 168.3
[M+NH4]+ 290.16114 177.6
[M+K]+ 311.09048 165.0
[M+H-H2O]+ 255.12458 152.0
[M+HCOO]- 317.12552 189.4
[M+CH3COO]- 331.14117 205.7
[M+Na-2H]- 293.10199 166.1
[M]+ 272.12677 162.6
[M]- 272.12787 162.6
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.