CID 409767

Nsc23428

Structural Information

Molecular Formula
C15H23N3
SMILES
C1CCN(C1)CCNN2CCC3=CC=CC=C3C2
InChI
InChI=1S/C15H23N3/c1-2-6-15-13-18(11-7-14(15)5-1)16-8-12-17-9-3-4-10-17/h1-2,5-6,16H,3-4,7-13H2
InChIKey
JTLGQLWDFJJXAM-UHFFFAOYSA-N
Compound name
N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.1892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.19648 157.8
[M+Na]+ 268.17842 161.2
[M-H]- 244.18192 161.0
[M+NH4]+ 263.22302 174.4
[M+K]+ 284.15236 156.9
[M+H-H2O]+ 228.18646 148.3
[M+HCOO]- 290.18740 175.1
[M+CH3COO]- 304.20305 167.6
[M+Na-2H]- 266.16387 161.4
[M]+ 245.18865 151.7
[M]- 245.18975 151.7
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.