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]+ 268.18083 163.6
[M+Na]+ 290.16277 175.2
[M+NH4]+ 285.20737 172.9
[M+K]+ 306.13671 168.4
[M-H]- 266.16627 167.3
[M+Na-2H]- 288.14822 168.5
[M]+ 267.17300 166.2
[M]- 267.17410 166.2
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.