CID 113376

63589-33-3

Structural Information

Molecular Formula
C13H18N5
SMILES
CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)C)C
InChI
InChI=1S/C13H18N5/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4/h5-10H,1-4H3/q+1
InChIKey
YLNDNABNWASMFD-UHFFFAOYSA-N
Compound name
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

7448
Patents

244.15622 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16350 155.6
[M+Na]+ 267.14544 163.8
[M-H]- 243.14894 164.8
[M+NH4]+ 262.19004 173.3
[M+K]+ 283.11938 157.0
[M+H-H2O]+ 227.15348 148.4
[M+HCOO]- 289.15442 184.9
[M+CH3COO]- 303.17007 202.6
[M+Na-2H]- 265.13089 163.7
[M]+ 244.15567 158.0
[M]- 244.15677 158.0
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