CID 135554540

1,2-ethanediamine, n'-benz(cd)indol-2-yl-n,n-diethyl-, hydrochloride, hydrate (2:4:5)

Structural Information

Molecular Formula
C17H21N3
SMILES
CCN(CC)CCN=C1C2=CC=CC3=C2C(=CC=C3)N1
InChI
InChI=1S/C17H21N3/c1-3-20(4-2)12-11-18-17-14-9-5-7-13-8-6-10-15(19-17)16(13)14/h5-10H,3-4,11-12H2,1-2H3,(H,18,19)
InChIKey
ZGFQDBHZAORUTO-UHFFFAOYSA-N
Compound name
2-(1H-benzo[cd]indol-2-ylideneamino)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.17355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.180826 163.8
[M+Na]+ 290.162768 170.0
[M-H]- 266.166274 167.9
[M+NH4]+ 285.207373 183.3
[M+K]+ 306.136708 165.6
[M+H-H2O]+ 250.170810 155.7
[M+HCOO]- 312.171751 186.2
[M+CH3COO]- 326.187401 208.4
[M+Na-2H]- 288.148216 169.5
[M]+ 267.17300142 165.6
[M]- 267.17409858 165.6
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.