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]+ 243.12404 156.1
[M+Na]+ 265.10598 166.3
[M+NH4]+ 260.15058 163.3
[M+K]+ 281.07992 161.6
[M-H]- 241.10948 160.5
[M+Na-2H]- 263.09143 164.1
[M]+ 242.11621 158.4
[M]- 242.11731 158.4
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.