CID 1208330

N,n-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CCN(CC)CCN1C2=CC=CC=C2C3=C1C=C4C=C(C=CC4=N3)[N+](=O)[O-]
InChI
InChI=1S/C21H22N4O2/c1-3-23(4-2)11-12-24-19-8-6-5-7-17(19)21-20(24)14-15-13-16(25(26)27)9-10-18(15)22-21/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKey
UDCCETPAMRECQX-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-nitroindolo[3,2-b]quinolin-10-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

362.1743 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 186.0
[M+Na]+ 385.16352 194.0
[M-H]- 361.16702 191.6
[M+NH4]+ 380.20812 200.2
[M+K]+ 401.13746 184.6
[M+H-H2O]+ 345.17156 180.4
[M+HCOO]- 407.17250 208.7
[M+CH3COO]- 421.18815 219.1
[M+Na-2H]- 383.14897 194.7
[M]+ 362.17375 191.1
[M]- 362.17485 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe