CID 3025471

1h-benzimidazole, 1-(4-morpholinylmethyl)-6-nitro-

Structural Information

Molecular Formula
C12H14N4O3
SMILES
C1COCCN1CN2C=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H14N4O3/c17-16(18)10-1-2-11-12(7-10)15(8-13-11)9-14-3-5-19-6-4-14/h1-2,7-8H,3-6,9H2
InChIKey
MBHRPBKYNWXXIC-UHFFFAOYSA-N
Compound name
4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1066 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.113876 155.4
[M+Na]+ 285.095818 162.0
[M-H]- 261.099324 159.7
[M+NH4]+ 280.140423 168.1
[M+K]+ 301.069758 155.7
[M+H-H2O]+ 245.103860 150.3
[M+HCOO]- 307.104801 174.4
[M+CH3COO]- 321.120451 188.6
[M+Na-2H]- 283.081266 163.9
[M]+ 262.10605142 153.2
[M]- 262.10714858 153.2
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.