CID 135489582

Brn 0486910

Structural Information

Molecular Formula
C17H26ClN3
SMILES
CCN(CC)CCN=C1CC(C(N1)C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H26ClN3/c1-4-21(5-2)11-10-19-17-12-16(13(3)20-17)14-6-8-15(18)9-7-14/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKey
GGZXDWZUENHBNX-UHFFFAOYSA-N
Compound name
2-[[4-(4-chlorophenyl)-5-methylpyrrolidin-2-ylidene]amino]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.18152 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18880 178.1
[M+Na]+ 330.17074 183.6
[M-H]- 306.17424 183.9
[M+NH4]+ 325.21534 194.6
[M+K]+ 346.14468 178.1
[M+H-H2O]+ 290.17878 169.8
[M+HCOO]- 352.17972 196.1
[M+CH3COO]- 366.19537 213.0
[M+Na-2H]- 328.15619 177.2
[M]+ 307.18097 178.9
[M]- 307.18207 178.9
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.