CID 3052239

68656-61-1

Structural Information

Molecular Formula
C11H15N5O3
SMILES
CC1=CC(=CC(=C1NC(=O)NC(=NC)N)C)[N+](=O)[O-]
InChI
InChI=1S/C11H15N5O3/c1-6-4-8(16(18)19)5-7(2)9(6)14-11(17)15-10(12)13-3/h4-5H,1-3H3,(H4,12,13,14,15,17)
InChIKey
HVGKIXWTOWCVIJ-UHFFFAOYSA-N
Compound name
1-(2,6-dimethyl-4-nitrophenyl)-3-(N'-methylcarbamimidoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1175 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 158.9
[M+Na]+ 288.10672 167.1
[M+NH4]+ 283.15132 164.2
[M+K]+ 304.08066 166.1
[M-H]- 264.11022 162.5
[M+Na-2H]- 286.09217 162.5
[M]+ 265.11695 160.3
[M]- 265.11805 160.3
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

No patent data available for this compound.