CID 197231

1,3-propanediamine, n,n-diethyl-n'-(4-methyl-5h-pyrido(4,3-b)indol-1-yl)-, (z)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C19H26N4
SMILES
CCN(CC)CCCNC1=NC=C(C2=C1C3=CC=CC=C3N2)C
InChI
InChI=1S/C19H26N4/c1-4-23(5-2)12-8-11-20-19-17-15-9-6-7-10-16(15)22-18(17)14(3)13-21-19/h6-7,9-10,13,22H,4-5,8,11-12H2,1-3H3,(H,20,21)
InChIKey
KTVKVTAKTPXILU-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

310.21576 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.223036 176.1
[M+Na]+ 333.204978 183.6
[M-H]- 309.208484 178.9
[M+NH4]+ 328.249583 192.0
[M+K]+ 349.178918 177.8
[M+H-H2O]+ 293.213020 167.1
[M+HCOO]- 355.213961 197.6
[M+CH3COO]- 369.229611 215.4
[M+Na-2H]- 331.190426 181.3
[M]+ 310.21521142 179.5
[M]- 310.21630858 179.5
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

patents stripe