CID 3031581

112351-13-0

Structural Information

Molecular Formula
C21H27N2O
SMILES
C[N+]1(CCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C21H26N2O/c1-23(15-8-9-16-23)17-14-21(20(22)24,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-17H2,1H3,(H-,22,24)/p+1
InChIKey
DGZNXGXAARWGIX-UHFFFAOYSA-O
Compound name
4-(1-methylpyrrolidin-1-ium-1-yl)-2,2-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.21234 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.219616 180.7
[M+Na]+ 346.201558 183.4
[M-H]- 322.205064 187.6
[M+NH4]+ 341.246163 195.4
[M+K]+ 362.175498 172.8
[M+H-H2O]+ 306.209600 174.3
[M+HCOO]- 368.210541 198.3
[M+CH3COO]- 382.226191 201.3
[M+Na-2H]- 344.187006 185.3
[M]+ 323.21179142 174.5
[M]- 323.21288858 174.5
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.