CID 3090501

2,2,4-trimethyl-6-trityl-1,2-dihydro-quinoline

Structural Information

Molecular Formula
C31H29N
SMILES
CC1=CC(NC2=C1C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C)C
InChI
InChI=1S/C31H29N/c1-23-22-30(2,3)32-29-20-19-27(21-28(23)29)31(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22,32H,1-3H3
InChIKey
PTFCOZWCSXQOEY-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-6-trityl-1H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.23 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.23728 209.3
[M+Na]+ 438.21922 214.9
[M-H]- 414.22272 218.8
[M+NH4]+ 433.26382 219.1
[M+K]+ 454.19316 205.4
[M+H-H2O]+ 398.22726 196.2
[M+HCOO]- 460.22820 223.5
[M+CH3COO]- 474.24385 216.5
[M+Na-2H]- 436.20467 213.3
[M]+ 415.22945 204.9
[M]- 415.23055 204.9
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.