CID 454719

Oprea1_657824

Structural Information

Molecular Formula
C21H23N3
SMILES
CN(C)CCNC1=C2CCC3=CC=CC=C3C2=NC4=CC=CC=C41
InChI
InChI=1S/C21H23N3/c1-24(2)14-13-22-20-17-9-5-6-10-19(17)23-21-16-8-4-3-7-15(16)11-12-18(20)21/h3-10H,11-14H2,1-2H3,(H,22,23)
InChIKey
GWABPBBLGUILLH-UHFFFAOYSA-N
Compound name
N-(5,6-dihydrobenzo[c]acridin-7-yl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19648 174.1
[M+Na]+ 340.17842 180.2
[M-H]- 316.18192 179.2
[M+NH4]+ 335.22302 190.0
[M+K]+ 356.15236 174.5
[M+H-H2O]+ 300.18646 164.0
[M+HCOO]- 362.18740 193.4
[M+CH3COO]- 376.20305 184.1
[M+Na-2H]- 338.16387 182.3
[M]+ 317.18865 174.0
[M]- 317.18975 174.0
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.