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 178.5
[M+Na]+ 361.16352 184.9
[M-H]- 337.16702 186.0
[M+NH4]+ 356.20812 193.1
[M+K]+ 377.13746 176.5
[M+H-H2O]+ 321.17156 173.6
[M+HCOO]- 383.17250 201.2
[M+CH3COO]- 397.18815 215.5
[M+Na-2H]- 359.14897 185.7
[M]+ 338.17375 176.4
[M]- 338.17485 176.4
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.