CID 6912372

126356-29-4

Structural Information

Molecular Formula
C17H22N2O
SMILES
CC1(CC2=CC=CC=C2/C(=C/C(=O)N3CCCC3)/N1)C
InChI
InChI=1S/C17H22N2O/c1-17(2)12-13-7-3-4-8-14(13)15(18-17)11-16(20)19-9-5-6-10-19/h3-4,7-8,11,18H,5-6,9-10,12H2,1-2H3/b15-11-
InChIKey
IQNVCGHRIYZOEX-PTNGSMBKSA-N
Compound name
(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.180496 167.5
[M+Na]+ 293.162438 172.9
[M-H]- 269.165944 170.1
[M+NH4]+ 288.207043 185.0
[M+K]+ 309.136378 167.4
[M+H-H2O]+ 253.170480 159.3
[M+HCOO]- 315.171421 181.2
[M+CH3COO]- 329.187071 177.0
[M+Na-2H]- 291.147886 168.0
[M]+ 270.17267142 160.9
[M]- 270.17376858 160.9
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.