CID 9554220

50529-08-3

Structural Information

Molecular Formula
C12H13Br2N3O
SMILES
CN\1CCC/C1=N/C(=O)NC2=C(C=CC=C2Br)Br
InChI
InChI=1S/C12H13Br2N3O/c1-17-7-3-6-10(17)15-12(18)16-11-8(13)4-2-5-9(11)14/h2,4-5H,3,6-7H2,1H3,(H,16,18)/b15-10-
InChIKey
KMUMXUDINVKVGX-GDNBJRDFSA-N
Compound name
(3Z)-1-(2,6-dibromophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.94254 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.94982 162.5
[M+Na]+ 395.93176 171.5
[M-H]- 371.93526 171.2
[M+NH4]+ 390.97636 179.5
[M+K]+ 411.90570 155.7
[M+H-H2O]+ 355.93980 168.0
[M+HCOO]- 417.94074 179.0
[M+CH3COO]- 431.95639 217.2
[M+Na-2H]- 393.91721 165.9
[M]+ 372.94199 194.2
[M]- 372.94309 194.2
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

patents stripe