CID 135489583

Brn 0430903

Structural Information

Molecular Formula
C19H31N3O2
SMILES
CCN(CC)CCN=C1CC(C(N1)C)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H31N3O2/c1-6-22(7-2)11-10-20-19-13-16(14(3)21-19)15-8-9-17(23-4)18(12-15)24-5/h8-9,12,14,16H,6-7,10-11,13H2,1-5H3,(H,20,21)
InChIKey
JAPQWFIWOGVQPK-UHFFFAOYSA-N
Compound name
2-[[4-(3,4-dimethoxyphenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.24164 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.24892 183.9
[M+Na]+ 356.23086 188.4
[M-H]- 332.23436 190.0
[M+NH4]+ 351.27546 198.6
[M+K]+ 372.20480 185.6
[M+H-H2O]+ 316.23890 174.9
[M+HCOO]- 378.23984 206.3
[M+CH3COO]- 392.25549 220.8
[M+Na-2H]- 354.21631 182.3
[M]+ 333.24109 186.6
[M]- 333.24219 186.6
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.