CID 3526950

6-(4-nitrophenylazo)-1,2,3,4-tetrahydro-2,2,4,7-tetramethylquinoline

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CC1CC(NC2=C1C=C(C(=C2)C)N=NC3=CC=C(C=C3)[N+](=O)[O-])(C)C
InChI
InChI=1S/C19H22N4O2/c1-12-9-18-16(13(2)11-19(3,4)20-18)10-17(12)22-21-14-5-7-15(8-6-14)23(24)25/h5-10,13,20H,11H2,1-4H3
InChIKey
ISOLDHAMKHKUIN-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-(2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1743 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 179.4
[M+Na]+ 361.16352 193.6
[M+NH4]+ 356.20812 188.8
[M+K]+ 377.13746 186.0
[M-H]- 337.16702 186.7
[M+Na-2H]- 359.14897 188.1
[M]+ 338.17375 183.6
[M]- 338.17485 183.6
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.