CID 5934

55-80-1

Structural Information

Molecular Formula
C15H17N3
SMILES
CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3
InChIKey
LVTFSVIRYMXRSR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

426
References

387
Patents

239.14224 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.149516 155.0
[M+Na]+ 262.131458 161.8
[M-H]- 238.134964 165.9
[M+NH4]+ 257.176063 173.8
[M+K]+ 278.105398 160.2
[M+H-H2O]+ 222.139500 146.0
[M+HCOO]- 284.140441 185.7
[M+CH3COO]- 298.156091 209.1
[M+Na-2H]- 260.116906 162.3
[M]+ 239.14169142 157.3
[M]- 239.14278858 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe