CID 3024874

Schembl334055

Structural Information

Molecular Formula
C11H15N5
SMILES
CN1C=CN(C1N=NC2=CC=C(C=C2)N)C
InChI
InChI=1S/C11H15N5/c1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10/h3-8,11H,12H2,1-2H3
InChIKey
ADRSLRWXHNROCG-UHFFFAOYSA-N
Compound name
4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

217.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 147.7
[M+Na]+ 240.121968 156.0
[M-H]- 216.125474 154.7
[M+NH4]+ 235.166573 166.0
[M+K]+ 256.095908 153.6
[M+H-H2O]+ 200.130010 138.5
[M+HCOO]- 262.130951 175.6
[M+CH3COO]- 276.146601 199.8
[M+Na-2H]- 238.107416 153.1
[M]+ 217.13220142 147.2
[M]- 217.13329858 147.2
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