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]+ 260.143376 160.0
[M+Na]+ 282.125318 169.8
[M-H]- 258.128824 165.0
[M+NH4]+ 277.169923 178.9
[M+K]+ 298.099258 163.1
[M+H-H2O]+ 242.133360 151.2
[M+HCOO]- 304.134301 177.6
[M+CH3COO]- 318.149951 171.9
[M+Na-2H]- 280.110766 168.0
[M]+ 259.13555142 159.8
[M]- 259.13664858 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.