CID 376180

Nsc656712

Structural Information

Molecular Formula
C32H39N5O
SMILES
CCN(CC)CC1=CC(=CC(=C1O)CN(CC)CC)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3C
InChI
InChI=1S/C32H39N5O/c1-6-36(7-2)20-22-18-24(19-23(32(22)38)21-37(8-3)9-4)33-29-25-14-10-12-16-27(25)34-30-26-15-11-13-17-28(26)35(5)31(29)30/h10-19,38H,6-9,20-21H2,1-5H3,(H,33,34)
InChIKey
YQEMYONMNJQBMH-UHFFFAOYSA-N
Compound name
2,6-bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.31546 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.32274 232.4
[M+Na]+ 532.30468 239.1
[M-H]- 508.30818 240.6
[M+NH4]+ 527.34928 240.9
[M+K]+ 548.27862 232.2
[M+H-H2O]+ 492.31272 220.0
[M+HCOO]- 554.31366 252.4
[M+CH3COO]- 568.32931 239.4
[M+Na-2H]- 530.29013 233.8
[M]+ 509.31491 240.4
[M]- 509.31601 240.4
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.