CID 9589549

119034-15-0

Structural Information

Molecular Formula
C13H14N4O
SMILES
CN1C=CC=C1/C=N/NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H14N4O/c1-17-9-5-8-12(17)10-14-16-13(18)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,15,16,18)/b14-10+
InChIKey
JVEMRXYMHBTPLT-GXDHUFHOSA-N
Compound name
1-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11676 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 153.5
[M+Na]+ 265.105978 159.5
[M-H]- 241.109484 160.4
[M+NH4]+ 260.150583 170.9
[M+K]+ 281.079918 156.6
[M+H-H2O]+ 225.114020 144.4
[M+HCOO]- 287.114961 181.9
[M+CH3COO]- 301.130611 199.3
[M+Na-2H]- 263.091426 159.6
[M]+ 242.11621142 152.8
[M]- 242.11730858 152.8
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.