CID 207898

N-(p-(2-(diethylamino)ethoxy)phenyl)-n'-phenyl-benzamidine oxalate

Structural Information

Molecular Formula
C25H29N3O
SMILES
CCN(CC)CCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C25H29N3O/c1-3-28(4-2)19-20-29-24-17-15-23(16-18-24)27-25(21-11-7-5-8-12-21)26-22-13-9-6-10-14-22/h5-18H,3-4,19-20H2,1-2H3,(H,26,27)
InChIKey
ZANIXEJAIMUJOP-UHFFFAOYSA-N
Compound name
N'-[4-[2-(diethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.23105 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.23833 197.4
[M+Na]+ 410.22027 199.2
[M-H]- 386.22377 208.0
[M+NH4]+ 405.26487 208.1
[M+K]+ 426.19421 194.9
[M+H-H2O]+ 370.22831 185.6
[M+HCOO]- 432.22925 223.5
[M+CH3COO]- 446.24490 233.2
[M+Na-2H]- 408.20572 201.1
[M]+ 387.23050 198.7
[M]- 387.23160 198.7
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

No patent data available for this compound.