CID 494261

Nsc346243

Structural Information

Molecular Formula
C22H29N3O
SMILES
CC(CCC1=CC2=C(C=C1)N(C3=C(C2=N)C=CC(=C3)N)O)CC(C)(C)C
InChI
InChI=1S/C22H29N3O/c1-14(13-22(2,3)4)5-6-15-7-10-19-18(11-15)21(24)17-9-8-16(23)12-20(17)25(19)26/h7-12,14,24,26H,5-6,13,23H2,1-4H3
InChIKey
UNZLECHEJIHJAV-UHFFFAOYSA-N
Compound name
10-hydroxy-9-imino-7-(3,5,5-trimethylhexyl)acridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 189.8
[M+Na]+ 374.22027 198.0
[M-H]- 350.22377 192.5
[M+NH4]+ 369.26487 203.1
[M+K]+ 390.19421 191.5
[M+H-H2O]+ 334.22831 181.9
[M+HCOO]- 396.22925 207.1
[M+CH3COO]- 410.24490 222.9
[M+Na-2H]- 372.20572 193.9
[M]+ 351.23050 191.0
[M]- 351.23160 191.0
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.