CID 36135

32421-51-5

Structural Information

Molecular Formula
C15H23N3O
SMILES
CC(C)NCCNC(=O)C1CC2=CC=CC=C2CN1
InChI
InChI=1S/C15H23N3O/c1-11(2)16-7-8-17-15(19)14-9-12-5-3-4-6-13(12)10-18-14/h3-6,11,14,16,18H,7-10H2,1-2H3,(H,17,19)
InChIKey
HLWSVWOWXFBYNX-UHFFFAOYSA-N
Compound name
N-[2-(propan-2-ylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1841 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 162.4
[M+Na]+ 284.17332 165.1
[M-H]- 260.17682 162.8
[M+NH4]+ 279.21792 177.2
[M+K]+ 300.14726 161.3
[M+H-H2O]+ 244.18136 154.6
[M+HCOO]- 306.18230 179.6
[M+CH3COO]- 320.19795 201.0
[M+Na-2H]- 282.15877 166.1
[M]+ 261.18355 157.4
[M]- 261.18465 157.4
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.