CID 484617

7,8-dimethoxy-2-(n,n-dimethylamino)-4-n-[3-(n,n-dimethylamino)]propylaminopyrimido[5,4-b]-indole

Structural Information

Molecular Formula
C19H28N6O2
SMILES
CN(C)CCCNC1=NC(=NC2=C1NC3=CC(=C(C=C32)OC)OC)N(C)C
InChI
InChI=1S/C19H28N6O2/c1-24(2)9-7-8-20-18-17-16(22-19(23-18)25(3)4)12-10-14(26-5)15(27-6)11-13(12)21-17/h10-11,21H,7-9H2,1-6H3,(H,20,22,23)
InChIKey
IDSPCBMQOXQRJL-UHFFFAOYSA-N
Compound name
4-N-[3-(dimethylamino)propyl]-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

372.2274 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23468 191.2
[M+Na]+ 395.21662 199.1
[M-H]- 371.22012 194.9
[M+NH4]+ 390.26122 203.7
[M+K]+ 411.19056 196.2
[M+H-H2O]+ 355.22466 181.3
[M+HCOO]- 417.22560 213.1
[M+CH3COO]- 431.24125 233.3
[M+Na-2H]- 393.20207 195.2
[M]+ 372.22685 199.2
[M]- 372.22795 199.2
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.