CID 371224

Nsc645281

Structural Information

Molecular Formula
C19H17N
SMILES
CC1=C2CCC3=CC4=CC=CC=C4N=C3C2=C(C=C1)C
InChI
InChI=1S/C19H17N/c1-12-7-8-13(2)18-16(12)10-9-15-11-14-5-3-4-6-17(14)20-19(15)18/h3-8,11H,9-10H2,1-2H3
InChIKey
OTMRTVOVSLBWCK-UHFFFAOYSA-N
Compound name
1,4-dimethyl-5,6-dihydrobenzo[c]acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1361 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14338 160.0
[M+Na]+ 282.12532 169.8
[M-H]- 258.12882 165.0
[M+NH4]+ 277.16992 178.9
[M+K]+ 298.09926 163.1
[M+H-H2O]+ 242.13336 151.2
[M+HCOO]- 304.13430 177.6
[M+CH3COO]- 318.14995 171.9
[M+Na-2H]- 280.11077 168.0
[M]+ 259.13555 159.8
[M]- 259.13665 159.8
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.