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]+ 303.185556 173.0
[M+Na]+ 325.167498 178.6
[M-H]- 301.171004 180.5
[M+NH4]+ 320.212103 187.5
[M+K]+ 341.141438 176.1
[M+H-H2O]+ 285.175540 165.3
[M+HCOO]- 347.176481 191.0
[M+CH3COO]- 361.192131 182.9
[M+Na-2H]- 323.152946 179.2
[M]+ 302.17773142 167.3
[M]- 302.17882858 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

literature stripe

Patent stripe

No patent data available for this compound.