CID 3049587

Urea, n-(2-bromo-6-methylphenyl)-n'-(imino(methylamino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H13BrN4O
SMILES
CC1=C(C(=CC=C1)Br)NC(=O)NC(=NC)N
InChI
InChI=1S/C10H13BrN4O/c1-6-4-3-5-7(11)8(6)14-10(16)15-9(12)13-2/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKey
DPGIPAAKHJASMM-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

284.02728 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03456 155.4
[M+Na]+ 307.01650 163.9
[M-H]- 283.02000 162.2
[M+NH4]+ 302.06110 173.8
[M+K]+ 322.99044 152.4
[M+H-H2O]+ 267.02454 151.8
[M+HCOO]- 329.02548 179.8
[M+CH3COO]- 343.04113 207.0
[M+Na-2H]- 305.00195 160.2
[M]+ 284.02673 170.6
[M]- 284.02783 170.6
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