CID 387118

Nsc680516

Structural Information

Molecular Formula
C18H18N4
SMILES
CC1=C(C=CC(=C1)N(C)C)N=NC2=CC3=C(C=C2)N=CC=C3
InChI
InChI=1S/C18H18N4/c1-13-11-16(22(2)3)7-9-17(13)21-20-15-6-8-18-14(12-15)5-4-10-19-18/h4-12H,1-3H3
InChIKey
PYUGLZIVWJGWCX-UHFFFAOYSA-N
Compound name
N,N,3-trimethyl-4-(quinolin-6-yldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

290.15314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16042 168.3
[M+Na]+ 313.14236 176.1
[M-H]- 289.14586 178.7
[M+NH4]+ 308.18696 184.6
[M+K]+ 329.11630 172.7
[M+H-H2O]+ 273.15040 157.7
[M+HCOO]- 335.15134 196.4
[M+CH3COO]- 349.16699 219.4
[M+Na-2H]- 311.12781 176.8
[M]+ 290.15259 171.2
[M]- 290.15369 171.2
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