CID 384362

Nsc674072

Structural Information

Molecular Formula
C15H16ClN3O
SMILES
CN(C)CC1=C(C=CC(=C1)N=NC2=CC=CC=C2Cl)O
InChI
InChI=1S/C15H16ClN3O/c1-19(2)10-11-9-12(7-8-15(11)20)17-18-14-6-4-3-5-13(14)16/h3-9,20H,10H2,1-2H3
InChIKey
BCAAUQURENEARX-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)diazenyl]-2-[(dimethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09818 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10546 166.9
[M+Na]+ 312.08740 174.9
[M-H]- 288.09090 176.5
[M+NH4]+ 307.13200 184.0
[M+K]+ 328.06134 171.1
[M+H-H2O]+ 272.09544 158.8
[M+HCOO]- 334.09638 191.7
[M+CH3COO]- 348.11203 213.5
[M+Na-2H]- 310.07285 172.3
[M]+ 289.09763 171.4
[M]- 289.09873 171.4
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.