CID 374017

Nsc671542

Structural Information

Molecular Formula
C22H20N4
SMILES
CN(C)CCN1C2=CC=CC=C2C3=NC4=CC5=CC=CC=C5C=C4N=C31
InChI
InChI=1S/C22H20N4/c1-25(2)11-12-26-20-10-6-5-9-17(20)21-22(26)24-19-14-16-8-4-3-7-15(16)13-18(19)23-21/h3-10,13-14H,11-12H2,1-2H3
InChIKey
LBLODJMEBRDDPY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1688 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17608 182.5
[M+Na]+ 363.15802 194.0
[M-H]- 339.16152 187.8
[M+NH4]+ 358.20262 198.2
[M+K]+ 379.13196 186.4
[M+H-H2O]+ 323.16606 171.4
[M+HCOO]- 385.16700 202.2
[M+CH3COO]- 399.18265 193.5
[M+Na-2H]- 361.14347 191.0
[M]+ 340.16825 188.4
[M]- 340.16935 188.4
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.