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]+ 284.175736 167.9
[M+Na]+ 306.157678 175.2
[M-H]- 282.161184 177.9
[M+NH4]+ 301.202283 184.8
[M+K]+ 322.131618 173.0
[M+H-H2O]+ 266.165720 159.0
[M+HCOO]- 328.166661 196.7
[M+CH3COO]- 342.182311 217.1
[M+Na-2H]- 304.143126 172.2
[M]+ 283.16791142 171.3
[M]- 283.16900858 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.