CID 484617

N4-[3-(dimethylamino)propyl]-7,8-dimethoxy-n2,n2-dimethyl-5h-pyrimido[5,4-b]indole-2,4-diamine

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]+ 373.234676 191.2
[M+Na]+ 395.216618 199.1
[M-H]- 371.220124 194.9
[M+NH4]+ 390.261223 203.7
[M+K]+ 411.190558 196.2
[M+H-H2O]+ 355.224660 181.3
[M+HCOO]- 417.225601 213.1
[M+CH3COO]- 431.241251 233.3
[M+Na-2H]- 393.202066 195.2
[M]+ 372.22685142 199.2
[M]- 372.22794858 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.