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 163.8
[M+Na]+ 290.16277 170.0
[M-H]- 266.16627 167.9
[M+NH4]+ 285.20737 183.3
[M+K]+ 306.13671 165.6
[M+H-H2O]+ 250.17081 155.7
[M+HCOO]- 312.17175 186.2
[M+CH3COO]- 326.18740 208.4
[M+Na-2H]- 288.14822 169.5
[M]+ 267.17300 165.6
[M]- 267.17410 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.