CID 6434974

67195-22-6

Structural Information

Molecular Formula
C22H26ClN
SMILES
CCN(CC)CC/C=C\1/C2=C(CCC3=CC=CC=C31)C=C(C=C2)Cl
InChI
InChI=1S/C22H26ClN/c1-3-24(4-2)15-7-10-22-20-9-6-5-8-17(20)11-12-18-16-19(23)13-14-21(18)22/h5-6,8-10,13-14,16H,3-4,7,11-12,15H2,1-2H3/b22-10+
InChIKey
QQSAGTCYOGJVSY-LSHDLFTRSA-N
Compound name
(3E)-3-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.17538 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18266 181.6
[M+Na]+ 362.16460 188.2
[M-H]- 338.16810 188.2
[M+NH4]+ 357.20920 198.1
[M+K]+ 378.13854 185.3
[M+H-H2O]+ 322.17264 175.7
[M+HCOO]- 384.17358 197.0
[M+CH3COO]- 398.18923 191.7
[M+Na-2H]- 360.15005 184.8
[M]+ 339.17483 182.0
[M]- 339.17593 182.0
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.