CID 174388

84787-99-5

Structural Information

Molecular Formula
C15H22N5O2
SMILES
CN1C=CN(C1=[N+]=NC2=CC(=C(C=C2OC)N(C)C)OC)C
InChI
InChI=1S/C15H22N5O2/c1-18(2)12-10-13(21-5)11(9-14(12)22-6)16-17-15-19(3)7-8-20(15)4/h7-10H,1-6H3/q+1
InChIKey
LIJYJCXFYCINMA-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-2,5-dimethoxyphenyl]imino-(1,3-dimethylimidazol-2-ylidene)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.17734 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18462 170.9
[M+Na]+ 327.16656 180.1
[M-H]- 303.17006 180.6
[M+NH4]+ 322.21116 186.7
[M+K]+ 343.14050 173.2
[M+H-H2O]+ 287.17460 163.7
[M+HCOO]- 349.17554 200.0
[M+CH3COO]- 363.19119 213.5
[M+Na-2H]- 325.15201 176.7
[M]+ 304.17679 176.7
[M]- 304.17789 176.7
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

patents stripe