CID 3038296

Brn 2905463

Structural Information

Molecular Formula
C16H14I2N4O2
SMILES
C1=CC(=CC=C1NC(=O)N/C=C/NC(=O)NC2=CC=C(C=C2)I)I
InChI
InChI=1S/C16H14I2N4O2/c17-11-1-5-13(6-2-11)21-15(23)19-9-10-20-16(24)22-14-7-3-12(18)4-8-14/h1-10H,(H2,19,21,23)(H2,20,22,24)/b10-9+
InChIKey
JISIZRFCJAINHU-MDZDMXLPSA-N
Compound name
1-(4-iodophenyl)-3-[(E)-2-[(4-iodophenyl)carbamoylamino]ethenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.9206 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.92788 208.6
[M+Na]+ 570.90982 198.2
[M-H]- 546.91332 201.9
[M+NH4]+ 565.95442 210.7
[M+K]+ 586.88376 206.0
[M+H-H2O]+ 530.91786 193.2
[M+HCOO]- 592.91880 221.3
[M+CH3COO]- 606.93445 231.9
[M+Na-2H]- 568.89527 192.7
[M]+ 547.92005 200.4
[M]- 547.92115 200.4
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.