CID 431429

Pirandamine

Structural Information

Molecular Formula
C17H23NO
SMILES
CC1(C2=C(CCO1)C3=CC=CC=C3C2)CCN(C)C
InChI
InChI=1S/C17H23NO/c1-17(9-10-18(2)3)16-12-13-6-4-5-7-14(13)15(16)8-11-19-17/h4-7H,8-12H2,1-3H3
InChIKey
AMJPIGOYWBNJLP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

700
Patents

257.17798 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 161.5
[M+Na]+ 280.16720 168.4
[M-H]- 256.17070 168.4
[M+NH4]+ 275.21180 183.5
[M+K]+ 296.14114 166.3
[M+H-H2O]+ 240.17524 155.1
[M+HCOO]- 302.17618 181.7
[M+CH3COO]- 316.19183 174.0
[M+Na-2H]- 278.15265 166.9
[M]+ 257.17743 163.1
[M]- 257.17853 163.1
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.