CID 117977220

1522052-31-8

Structural Information

Molecular Formula
C24H27N4O2
SMILES
CC(C)(C)OC(=O)N1C2=C(C=NC=C2)C3=C1C=C(C=C3)C4=CN=C(C=C4)[N+](C)(C)C
InChI
InChI=1S/C24H27N4O2/c1-24(2,3)30-23(29)27-20-11-12-25-15-19(20)18-9-7-16(13-21(18)27)17-8-10-22(26-14-17)28(4,5)6/h7-15H,1-6H3/q+1
InChIKey
ZNUIECCUMUCEOU-UHFFFAOYSA-N
Compound name
trimethyl-[5-[5-[(2-methylpropan-2-yl)oxycarbonyl]pyrido[4,3-b]indol-7-yl]pyridin-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

403.2134 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.22068 203.5
[M+Na]+ 426.20262 212.1
[M-H]- 402.20612 210.5
[M+NH4]+ 421.24722 214.6
[M+K]+ 442.17656 201.6
[M+H-H2O]+ 386.21066 195.9
[M+HCOO]- 448.21160 219.9
[M+CH3COO]- 462.22725 222.7
[M+Na-2H]- 424.18807 212.1
[M]+ 403.21285 207.9
[M]- 403.21395 207.9
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

patents stripe