CID 13757

7,9-dimethylbenz[c]acridine

Structural Information

Molecular Formula
C19H15N
SMILES
CC1=CC2=C(C=C1)N=C3C(=C2C)C=CC4=CC=CC=C43
InChI
InChI=1S/C19H15N/c1-12-7-10-18-17(11-12)13(2)15-9-8-14-5-3-4-6-16(14)19(15)20-18/h3-11H,1-2H3
InChIKey
HEFJMRLDXHSXEP-UHFFFAOYSA-N
Compound name
7,9-dimethylbenzo[c]acridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3
Patents

257.12045 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.127726 158.8
[M+Na]+ 280.109668 170.6
[M-H]- 256.113174 164.5
[M+NH4]+ 275.154273 177.9
[M+K]+ 296.083608 163.5
[M+H-H2O]+ 240.117710 150.0
[M+HCOO]- 302.118651 179.1
[M+CH3COO]- 316.134301 171.7
[M+Na-2H]- 278.095116 168.7
[M]+ 257.11990142 161.4
[M]- 257.12099858 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe