CID 4020074

Brn 0938352

Structural Information

Molecular Formula
C15H13N5O4
SMILES
CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCC3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H13N5O4/c1-9-17-11-7-12(19(21)22)14(15(20(23)24)13(11)18-9)16-8-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,17,18)
InChIKey
FFYNXIXWMNSHMD-UHFFFAOYSA-N
Compound name
N-benzyl-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.09674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10402 169.7
[M+Na]+ 350.08596 175.4
[M-H]- 326.08946 174.5
[M+NH4]+ 345.13056 180.4
[M+K]+ 366.05990 162.4
[M+H-H2O]+ 310.09400 169.3
[M+HCOO]- 372.09494 193.4
[M+CH3COO]- 386.11059 198.1
[M+Na-2H]- 348.07141 180.0
[M]+ 327.09619 166.7
[M]- 327.09729 166.7
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.