CID 356511

Nsc612492

Structural Information

Molecular Formula
C21H22N2
SMILES
CC1=CC(=CC=C1)NC2=C3CCCCCC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H22N2/c1-15-8-7-9-16(14-15)22-21-17-10-3-2-4-12-19(17)23-20-13-6-5-11-18(20)21/h5-9,11,13-14H,2-4,10,12H2,1H3,(H,22,23)
InChIKey
KBJMBDBIYWQHOE-UHFFFAOYSA-N
Compound name
N-(3-methylphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.17828 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18556 173.0
[M+Na]+ 325.16750 178.6
[M-H]- 301.17100 180.5
[M+NH4]+ 320.21210 187.5
[M+K]+ 341.14144 176.1
[M+H-H2O]+ 285.17554 165.3
[M+HCOO]- 347.17648 191.0
[M+CH3COO]- 361.19213 182.9
[M+Na-2H]- 323.15295 179.2
[M]+ 302.17773 167.3
[M]- 302.17883 167.3
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.