CID 484640

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

Structural Information

Molecular Formula
C21H30N6O
SMILES
CCN(CC)CCNC1=NC(=NC2=C1NC3=CC=CC=C32)CN4CCOCC4
InChI
InChI=1S/C21H30N6O/c1-3-26(4-2)10-9-22-21-20-19(16-7-5-6-8-17(16)23-20)24-18(25-21)15-27-11-13-28-14-12-27/h5-8,23H,3-4,9-15H2,1-2H3,(H,22,24,25)
InChIKey
LPHOKFBIQPEAIP-UHFFFAOYSA-N
Compound name
N',N'-diethyl-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

382.2481 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.25538 193.0
[M+Na]+ 405.23732 197.8
[M-H]- 381.24082 195.8
[M+NH4]+ 400.28192 200.8
[M+K]+ 421.21126 192.5
[M+H-H2O]+ 365.24536 180.9
[M+HCOO]- 427.24630 207.2
[M+CH3COO]- 441.26195 200.2
[M+Na-2H]- 403.22277 196.8
[M]+ 382.24755 193.1
[M]- 382.24865 193.1
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.