CID 6476694

Chembl133504

Structural Information

Molecular Formula
C20H39N5
SMILES
CCNC/C=C\CNC/C=C\CNC/C=C\CNC/C=C\CNCC
InChI
InChI=1S/C20H39N5/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2/h5-12,21-25H,3-4,13-20H2,1-2H3/b7-5-,8-6-,11-9-,12-10-
InChIKey
HSXCZXNXIXKGQK-CAVFYFSLSA-N
Compound name
(Z)-N-ethyl-N'-[(Z)-4-[[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]amino]but-2-enyl]but-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

349.32056 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.32784 188.5
[M+Na]+ 372.30978 187.0
[M-H]- 348.31328 186.2
[M+NH4]+ 367.35438 200.1
[M+K]+ 388.28372 181.2
[M+H-H2O]+ 332.31782 179.2
[M+HCOO]- 394.31876 213.5
[M+CH3COO]- 408.33441 228.7
[M+Na-2H]- 370.29523 190.1
[M]+ 349.32001 187.9
[M]- 349.32111 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe