CID 484638

4-(amino-n-dimethylethyl)-2-n-methyl-morpholinylpyrimido[5,4-b]indole

Structural Information

Molecular Formula
C19H26N6O
SMILES
CN(C)CCNC1=NC(=NC2=C1NC3=CC=CC=C32)CN4CCOCC4
InChI
InChI=1S/C19H26N6O/c1-24(2)8-7-20-19-18-17(14-5-3-4-6-15(14)21-18)22-16(23-19)13-25-9-11-26-12-10-25/h3-6,21H,7-13H2,1-2H3,(H,20,22,23)
InChIKey
CVVMWOLVRWEZIS-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[2-(morpholin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.2168 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22408 184.5
[M+Na]+ 377.20602 190.2
[M-H]- 353.20952 187.6
[M+NH4]+ 372.25062 193.4
[M+K]+ 393.17996 185.3
[M+H-H2O]+ 337.21406 172.8
[M+HCOO]- 399.21500 199.4
[M+CH3COO]- 413.23065 192.5
[M+Na-2H]- 375.19147 189.3
[M]+ 354.21625 184.0
[M]- 354.21735 184.0
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

No patent data available for this compound.