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]+ 339.181576 178.5
[M+Na]+ 361.163518 184.9
[M-H]- 337.167024 186.0
[M+NH4]+ 356.208123 193.1
[M+K]+ 377.137458 176.5
[M+H-H2O]+ 321.171560 173.6
[M+HCOO]- 383.172501 201.2
[M+CH3COO]- 397.188151 215.5
[M+Na-2H]- 359.148966 185.7
[M]+ 338.17375142 176.4
[M]- 338.17484858 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.