CID 19626

1-(3-((4-(dimethylamino)phenyl)azo)phenyl)ethanone

Structural Information

Molecular Formula
C16H17N3O
SMILES
CC(=O)C1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H17N3O/c1-12(20)13-5-4-6-15(11-13)18-17-14-7-9-16(10-8-14)19(2)3/h4-11H,1-3H3
InChIKey
NXWXQKSMPANXPG-UHFFFAOYSA-N
Compound name
1-[3-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.13718 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 162.2
[M+Na]+ 290.12640 168.5
[M-H]- 266.12990 173.1
[M+NH4]+ 285.17100 179.6
[M+K]+ 306.10034 167.1
[M+H-H2O]+ 250.13444 152.9
[M+HCOO]- 312.13538 192.0
[M+CH3COO]- 326.15103 214.2
[M+Na-2H]- 288.11185 167.8
[M]+ 267.13663 164.9
[M]- 267.13773 164.9
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