CID 85346292

299916-95-3

Structural Information

Molecular Formula
C18H22N6O3
SMILES
CN(C)C=CC1=C(C(=NC(=N1)N=CN(C)C)OCC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C18H22N6O3/c1-22(2)11-10-15-16(24(25)26)17(21-18(20-15)19-13-23(3)4)27-12-14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3
InChIKey
LYHZUVHVDRIICA-UHFFFAOYSA-N
Compound name
N'-[4-[2-(dimethylamino)ethenyl]-5-nitro-6-phenylmethoxypyrimidin-2-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

370.17532 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18260 187.6
[M+Na]+ 393.16454 191.9
[M-H]- 369.16804 195.5
[M+NH4]+ 388.20914 197.0
[M+K]+ 409.13848 186.0
[M+H-H2O]+ 353.17258 180.3
[M+HCOO]- 415.17352 214.9
[M+CH3COO]- 429.18917 227.0
[M+Na-2H]- 391.14999 193.9
[M]+ 370.17477 190.5
[M]- 370.17587 190.5
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

patents stripe