CID 21389

Imidocarb

Structural Information

Molecular Formula
C19H20N6O
SMILES
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4
InChI
InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)
InChIKey
SCEVFJUWLLRELN-UHFFFAOYSA-N
Compound name
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

249
References

2182
Patents

348.16986 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17714 176.4
[M+Na]+ 371.15908 180.2
[M-H]- 347.16258 181.9
[M+NH4]+ 366.20368 184.6
[M+K]+ 387.13302 173.3
[M+H-H2O]+ 331.16712 164.9
[M+HCOO]- 393.16806 193.9
[M+CH3COO]- 407.18371 184.2
[M+Na-2H]- 369.14453 177.6
[M]+ 348.16931 169.2
[M]- 348.17041 169.2
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

patents stripe