CID 384368

Nsc674078

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC1=C(C=C(C=C1)N=NC2=CC(=C(C=C2)O)CN(C)C)C
InChI
InChI=1S/C17H21N3O/c1-12-5-6-15(9-13(12)2)18-19-16-7-8-17(21)14(10-16)11-20(3)4/h5-10,21H,11H2,1-4H3
InChIKey
HXPYFGPIBVNFIY-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-4-[(3,4-dimethylphenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 167.9
[M+Na]+ 306.15768 175.2
[M-H]- 282.16118 177.9
[M+NH4]+ 301.20228 184.8
[M+K]+ 322.13162 173.0
[M+H-H2O]+ 266.16572 159.0
[M+HCOO]- 328.16666 196.7
[M+CH3COO]- 342.18231 217.1
[M+Na-2H]- 304.14313 172.2
[M]+ 283.16791 171.3
[M]- 283.16901 171.3
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.