CID 135511128

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,5-dihydropyrimido[5,4-b]indol-4-one

Structural Information

Molecular Formula
C22H23N5O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC3=NC4=C(C(=O)N3)NC5=CC=CC=C54
InChI
InChI=1S/C22H23N5O2/c1-29-18-9-5-4-8-17(18)27-12-10-26(11-13-27)14-19-24-20-15-6-2-3-7-16(15)23-21(20)22(28)25-19/h2-9,23H,10-14H2,1H3,(H,24,25,28)
InChIKey
DTAWOOJSGFAQGN-UHFFFAOYSA-N
Compound name
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,5-dihydropyrimido[5,4-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.18518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19246 195.7
[M+Na]+ 412.17440 203.9
[M-H]- 388.17790 198.1
[M+NH4]+ 407.21900 202.1
[M+K]+ 428.14834 194.5
[M+H-H2O]+ 372.18244 183.0
[M+HCOO]- 434.18338 206.2
[M+CH3COO]- 448.19903 202.5
[M+Na-2H]- 410.15985 197.7
[M]+ 389.18463 192.9
[M]- 389.18573 192.9
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

No patent data available for this compound.