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 151.3
[M+Na]+ 293.00085 160.1
[M-H]- 269.00435 157.7
[M+NH4]+ 288.04545 169.9
[M+K]+ 308.97479 148.5
[M+H-H2O]+ 253.00889 147.8
[M+HCOO]- 315.00983 175.3
[M+CH3COO]- 329.02548 204.3
[M+Na-2H]- 290.98630 155.5
[M]+ 270.01108 165.3
[M]- 270.01218 165.3
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