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]+ 304.14043 168.2
[M+Na]+ 326.12237 174.5
[M-H]- 302.12587 175.6
[M+NH4]+ 321.16697 182.1
[M+K]+ 342.09631 168.9
[M+H-H2O]+ 286.13041 162.7
[M+HCOO]- 348.13135 196.0
[M+CH3COO]- 362.14700 208.3
[M+Na-2H]- 324.10782 174.4
[M]+ 303.13260 170.7
[M]- 303.13370 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.