CID 384370

Nsc674080

Structural Information

Molecular Formula
C18H23ClN4O
SMILES
CN(C)CC1=CC(=CC(=C1O)CN(C)C)N=NC2=CC=CC=C2Cl
InChI
InChI=1S/C18H23ClN4O/c1-22(2)11-13-9-15(10-14(18(13)24)12-23(3)4)20-21-17-8-6-5-7-16(17)19/h5-10,24H,11-12H2,1-4H3
InChIKey
NGJVZHSVHYZXGL-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)diazenyl]-2,6-bis[(dimethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15604 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16332 186.0
[M+Na]+ 369.14526 192.8
[M-H]- 345.14876 196.8
[M+NH4]+ 364.18986 201.3
[M+K]+ 385.11920 189.9
[M+H-H2O]+ 329.15330 176.9
[M+HCOO]- 391.15424 211.2
[M+CH3COO]- 405.16989 232.0
[M+Na-2H]- 367.13071 188.6
[M]+ 346.15549 192.5
[M]- 346.15659 192.5
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.