CID 4244534

Brn 0946951

Structural Information

Molecular Formula
C13H15N7O5
SMILES
CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCN3CCNC3=O)[N+](=O)[O-]
InChI
InChI=1S/C13H15N7O5/c1-7-16-8-6-9(19(22)23)11(12(20(24)25)10(8)17-7)14-2-4-18-5-3-15-13(18)21/h6,14H,2-5H2,1H3,(H,15,21)(H,16,17)
InChIKey
MMUPGJKIGPUGQY-UHFFFAOYSA-N
Compound name
1-[2-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]ethyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.11346 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12074 174.9
[M+Na]+ 372.10268 184.4
[M+NH4]+ 367.14728 178.1
[M+K]+ 388.07662 190.0
[M-H]- 348.10618 176.5
[M+Na-2H]- 370.08813 176.4
[M]+ 349.11291 175.7
[M]- 349.11401 175.7
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

No patent data available for this compound.