CID 54663

80785-20-2

Structural Information

Molecular Formula
C28H35N3O2
SMILES
CC(C)N(CCOC1=CC=C(C=C1)N=C(C2=CC=C(C=C2)OC)NC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C28H35N3O2/c1-21(2)31(22(3)4)19-20-33-27-17-13-25(14-18-27)30-28(29-24-9-7-6-8-10-24)23-11-15-26(32-5)16-12-23/h6-18,21-22H,19-20H2,1-5H3,(H,29,30)
InChIKey
RZKDEOYYOPRASF-UHFFFAOYSA-N
Compound name
N'-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methoxy-N-phenylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.27292 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.28020 215.2
[M+Na]+ 468.26214 215.7
[M-H]- 444.26564 225.7
[M+NH4]+ 463.30674 223.5
[M+K]+ 484.23608 212.9
[M+H-H2O]+ 428.27018 203.0
[M+HCOO]- 490.27112 238.4
[M+CH3COO]- 504.28677 246.8
[M+Na-2H]- 466.24759 214.3
[M]+ 445.27237 218.0
[M]- 445.27347 218.0
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.