CID 217504

Icr 426

Structural Information

Molecular Formula
C24H26ClN3
SMILES
CCN(CCCNC1=C2C=CC=CC2=NC3=CC4=CC=CC=C4C=C31)CCCl
InChI
InChI=1S/C24H26ClN3/c1-2-28(15-12-25)14-7-13-26-24-20-10-5-6-11-22(20)27-23-17-19-9-4-3-8-18(19)16-21(23)24/h3-6,8-11,16-17H,2,7,12-15H2,1H3,(H,26,27)
InChIKey
IQPOWVNDXVABLU-UHFFFAOYSA-N
Compound name
N-benzo[b]acridin-12-yl-N'-(2-chloroethyl)-N'-ethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.18152 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18880 194.1
[M+Na]+ 414.17074 201.7
[M-H]- 390.17424 199.0
[M+NH4]+ 409.21534 208.0
[M+K]+ 430.14468 193.6
[M+H-H2O]+ 374.17878 183.9
[M+HCOO]- 436.17972 210.5
[M+CH3COO]- 450.19537 203.3
[M+Na-2H]- 412.15619 202.0
[M]+ 391.18097 200.3
[M]- 391.18207 200.3
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.