CID 3052247

Urea, n-(aminoiminomethyl)-n'-(2-bromo-6-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C9H11BrN4O
SMILES
CC1=C(C(=CC=C1)Br)NC(=O)N=C(N)N
InChI
InChI=1S/C9H11BrN4O/c1-5-3-2-4-6(10)7(5)13-9(15)14-8(11)12/h2-4H,1H3,(H5,11,12,13,14,15)
InChIKey
FRMCOCFUUZMSTA-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-methylphenyl)-3-(diaminomethylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

270.01163 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01891 152.0
[M+Na]+ 293.00085 151.6
[M+NH4]+ 288.04545 155.2
[M+K]+ 308.97479 153.2
[M-H]- 269.00435 153.4
[M+Na-2H]- 290.98630 153.9
[M]+ 270.01108 150.7
[M]- 270.01218 150.7
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