CID 197231

Sr 95400a

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]+ 311.22304 176.4
[M+Na]+ 333.20498 188.9
[M+NH4]+ 328.24958 184.5
[M+K]+ 349.17892 182.2
[M-H]- 309.20848 179.8
[M+Na-2H]- 331.19043 181.8
[M]+ 310.21521 179.1
[M]- 310.21631 179.1
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