CID 9563276

134221-13-9

Structural Information

Molecular Formula
C14H17N5O3
SMILES
CN(C)/N=C/C1=NC=CN1CC2=CC(=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C14H17N5O3/c1-17(2)16-9-14-15-6-7-18(14)10-11-4-5-13(22-3)12(8-11)19(20)21/h4-9H,10H2,1-3H3/b16-9+
InChIKey
KSOABIHPQSKDDW-CXUHLZMHSA-N
Compound name
N-[(E)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.13315 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.140426 168.2
[M+Na]+ 326.122368 174.5
[M-H]- 302.125874 175.6
[M+NH4]+ 321.166973 182.1
[M+K]+ 342.096308 168.9
[M+H-H2O]+ 286.130410 162.7
[M+HCOO]- 348.131351 196.0
[M+CH3COO]- 362.147001 208.3
[M+Na-2H]- 324.107816 174.4
[M]+ 303.13260142 170.7
[M]- 303.13369858 170.7
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.