CID 2812407

Maybridge2_000198

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC1(CCC2=C(O1)C=CC(=C2)CN3CCN(CC3)C4=CC=CC=N4)C
InChI
InChI=1S/C21H27N3O/c1-21(2)9-8-18-15-17(6-7-19(18)25-21)16-23-11-13-24(14-12-23)20-5-3-4-10-22-20/h3-7,10,15H,8-9,11-14,16H2,1-2H3
InChIKey
NSKUGSOHXNHRAT-UHFFFAOYSA-N
Compound name
1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

337.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.222696 186.3
[M+Na]+ 360.204638 191.3
[M-H]- 336.208144 191.7
[M+NH4]+ 355.249243 196.5
[M+K]+ 376.178578 186.5
[M+H-H2O]+ 320.212680 173.3
[M+HCOO]- 382.213621 197.1
[M+CH3COO]- 396.229271 194.1
[M+Na-2H]- 358.190086 189.6
[M]+ 337.21487142 181.2
[M]- 337.21596858 181.2
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

No patent data available for this compound.