CID 80680

42450-16-8

Structural Information

Molecular Formula
C21H29N3
SMILES
CCN(CC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(CC)CC
InChI
InChI=1S/C21H29N3/c1-5-23(6-2)19-13-9-17(10-14-19)21(22)18-11-15-20(16-12-18)24(7-3)8-4/h9-16,22H,5-8H2,1-4H3
InChIKey
HPKYMNAXAKNZCR-UHFFFAOYSA-N
Compound name
4-[4-(diethylamino)benzenecarboximidoyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

114
Patents

323.23615 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.24343 184.1
[M+Na]+ 346.22537 195.6
[M+NH4]+ 341.26997 192.1
[M+K]+ 362.19931 187.4
[M-H]- 322.22887 191.0
[M+Na-2H]- 344.21082 192.5
[M]+ 323.23560 187.7
[M]- 323.23670 187.7
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

patents stripe