CID 3017416

63451-42-3

Structural Information

Molecular Formula
C18H21N
SMILES
CC(C)C1=CC2=C(C=C1)NC3=CC=CC=C3C2(C)C
InChI
InChI=1S/C18H21N/c1-12(2)13-9-10-17-15(11-13)18(3,4)14-7-5-6-8-16(14)19-17/h5-12,19H,1-4H3
InChIKey
VHXQUJDDGXZCDP-UHFFFAOYSA-N
Compound name
9,9-dimethyl-2-propan-2-yl-10H-acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1674 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.174676 160.9
[M+Na]+ 274.156618 169.3
[M-H]- 250.160124 163.6
[M+NH4]+ 269.201223 180.5
[M+K]+ 290.130558 163.5
[M+H-H2O]+ 234.164660 153.5
[M+HCOO]- 296.165601 176.7
[M+CH3COO]- 310.181251 172.1
[M+Na-2H]- 272.142066 166.6
[M]+ 251.16685142 159.3
[M]- 251.16794858 159.3
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.