CID 48625

Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethyl(1,4-xylyl)-, chloride

Structural Information

Molecular Formula
C24H31N2O
SMILES
CC1=CC=C(C=C1)C[N+](C)(C)CC(C)C2=C3C=CC=CN3C(=C2C)C(=O)C
InChI
InChI=1S/C24H31N2O/c1-17-10-12-21(13-11-17)16-26(5,6)15-18(2)23-19(3)24(20(4)27)25-14-8-7-9-22(23)25/h7-14,18H,15-16H2,1-6H3/q+1
InChIKey
RWHHHQIKDCUOFW-UHFFFAOYSA-N
Compound name
2-(3-acetyl-2-methylindolizin-1-yl)propyl-dimethyl-[(4-methylphenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.24365 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.25093 192.7
[M+Na]+ 386.23287 199.9
[M-H]- 362.23637 200.9
[M+NH4]+ 381.27747 207.4
[M+K]+ 402.20681 189.4
[M+H-H2O]+ 346.24091 186.8
[M+HCOO]- 408.24185 212.9
[M+CH3COO]- 422.25750 219.9
[M+Na-2H]- 384.21832 195.8
[M]+ 363.24310 196.5
[M]- 363.24420 196.5
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.