CID 376178

Nsc656711

Structural Information

Molecular Formula
C31H37N5O
SMILES
CCN(CC)CC1=CC(=CC(=C1O)CN(CC)CC)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3
InChI
InChI=1S/C31H37N5O/c1-5-35(6-2)19-21-17-23(18-22(31(21)37)20-36(7-3)8-4)32-28-24-13-9-11-15-26(24)33-29-25-14-10-12-16-27(25)34-30(28)29/h9-18,34,37H,5-8,19-20H2,1-4H3,(H,32,33)
InChIKey
MZKJUDRHSDIMIV-UHFFFAOYSA-N
Compound name
2,6-bis(diethylaminomethyl)-4-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.2998 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.30708 224.8
[M+Na]+ 518.28902 230.8
[M-H]- 494.29252 231.6
[M+NH4]+ 513.33362 233.0
[M+K]+ 534.26296 223.4
[M+H-H2O]+ 478.29706 213.0
[M+HCOO]- 540.29800 243.9
[M+CH3COO]- 554.31365 231.6
[M+Na-2H]- 516.27447 227.5
[M]+ 495.29925 230.6
[M]- 495.30035 230.6
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.