CID 3047482

Perimidine, 2-(3,4-dimethoxyphenyl)-1-(3-(dimethylamino)propyl)-

Structural Information

Molecular Formula
C24H27N3O2
SMILES
CN(C)CCCN1C2=CC=CC3=C2C(=CC=C3)N=C1C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C24H27N3O2/c1-26(2)14-7-15-27-20-11-6-9-17-8-5-10-19(23(17)20)25-24(27)18-12-13-21(28-3)22(16-18)29-4/h5-6,8-13,16H,7,14-15H2,1-4H3
InChIKey
FRFXKUZDPKGIHE-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dimethoxyphenyl)perimidin-1-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.21033 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.217606 199.5
[M+Na]+ 412.199548 206.4
[M-H]- 388.203054 205.3
[M+NH4]+ 407.244153 210.7
[M+K]+ 428.173488 201.5
[M+H-H2O]+ 372.207590 187.4
[M+HCOO]- 434.208531 217.1
[M+CH3COO]- 448.224181 208.4
[M+Na-2H]- 410.184996 203.7
[M]+ 389.20978142 205.6
[M]- 389.21087858 205.6
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.