CID 688344

149182-72-9

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC(C)(C)NC(=O)[C@@H]1CC2=CC=CC=C2CN1
InChI
InChI=1S/C14H20N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKey
DMJXRYSGXCLCFP-LBPRGKRZSA-N
Compound name
(3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

569
Patents

232.15756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 155.4
[M+Na]+ 255.146778 160.3
[M-H]- 231.150284 156.4
[M+NH4]+ 250.191383 172.1
[M+K]+ 271.120718 156.6
[M+H-H2O]+ 215.154820 148.9
[M+HCOO]- 277.155761 171.4
[M+CH3COO]- 291.171411 191.6
[M+Na-2H]- 253.132226 161.1
[M]+ 232.15701142 150.8
[M]- 232.15810858 150.8
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

patents stripe