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]+ 271.18050 167.5
[M+Na]+ 293.16244 172.9
[M-H]- 269.16594 170.1
[M+NH4]+ 288.20704 185.0
[M+K]+ 309.13638 167.4
[M+H-H2O]+ 253.17048 159.3
[M+HCOO]- 315.17142 181.2
[M+CH3COO]- 329.18707 177.0
[M+Na-2H]- 291.14789 168.0
[M]+ 270.17267 160.9
[M]- 270.17377 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.