CID 459791

2-(6-chloro-2-methoxy-9-acridylamino)-2-methyl-1-propanol

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
CC(C)(CO)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
InChI
InChI=1S/C18H19ClN2O2/c1-18(2,10-22)21-17-13-6-4-11(19)8-16(13)20-15-7-5-12(23-3)9-14(15)17/h4-9,22H,10H2,1-3H3,(H,20,21)
InChIKey
JZXASMNKHVZARN-UHFFFAOYSA-N
Compound name
2-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1135 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12078 177.0
[M+Na]+ 353.10272 187.6
[M-H]- 329.10622 180.3
[M+NH4]+ 348.14732 192.3
[M+K]+ 369.07666 181.1
[M+H-H2O]+ 313.11076 170.0
[M+HCOO]- 375.11170 191.8
[M+CH3COO]- 389.12735 211.2
[M+Na-2H]- 351.08817 185.2
[M]+ 330.11295 183.1
[M]- 330.11405 183.1
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.