CID 484639

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

Structural Information

Molecular Formula
C20H28N6O
SMILES
CN(C)CCCNC1=NC(=NC2=C1NC3=CC=CC=C32)CN4CCOCC4
InChI
InChI=1S/C20H28N6O/c1-25(2)9-5-8-21-20-19-18(15-6-3-4-7-16(15)22-19)23-17(24-20)14-26-10-12-27-13-11-26/h3-4,6-7,22H,5,8-14H2,1-2H3,(H,21,23,24)
InChIKey
UJUFVYGKOPEYES-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[2-(morpholin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-yl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.23245 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23973 188.7
[M+Na]+ 391.22167 194.0
[M-H]- 367.22517 191.7
[M+NH4]+ 386.26627 197.1
[M+K]+ 407.19561 188.9
[M+H-H2O]+ 351.22971 176.9
[M+HCOO]- 413.23065 203.3
[M+CH3COO]- 427.24630 196.3
[M+Na-2H]- 389.20712 193.1
[M]+ 368.23190 188.5
[M]- 368.23300 188.5
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.