CID 484618

4-n-[2-(n,n-diethylamino)]ethylamino-7,8-dimethoxy-2-(n,n-dimethylamino)pyrimido[5,4-b]indole

Structural Information

Molecular Formula
C20H30N6O2
SMILES
CCN(CC)CCNC1=NC(=NC2=C1NC3=CC(=C(C=C32)OC)OC)N(C)C
InChI
InChI=1S/C20H30N6O2/c1-7-26(8-2)10-9-21-19-18-17(23-20(24-19)25(3)4)13-11-15(27-5)16(28-6)12-14(13)22-18/h11-12,22H,7-10H2,1-6H3,(H,21,23,24)
InChIKey
CTJOKMHAEOBXGA-UHFFFAOYSA-N
Compound name
4-N-[2-(diethylamino)ethyl]-7,8-dimethoxy-2-N,2-N-dimethyl-5H-pyrimido[5,4-b]indole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.243 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.25028 195.7
[M+Na]+ 409.23222 203.1
[M-H]- 385.23572 199.2
[M+NH4]+ 404.27682 207.6
[M+K]+ 425.20616 199.9
[M+H-H2O]+ 369.24026 185.5
[M+HCOO]- 431.24120 217.1
[M+CH3COO]- 445.25685 236.2
[M+Na-2H]- 407.21767 199.2
[M]+ 386.24245 203.9
[M]- 386.24355 203.9
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.