CID 3076751

13h-benzo(i)pyrido(2,3-b)(1,4)benzodiazepine-13-propanamine, n,n-dimethyl-7-(3-pyridinyl)-

Structural Information

Molecular Formula
C26H25N5
SMILES
CN(C)CCCN1C2=C(C=CC3=CC=CC=C32)C(=NC4=C1N=CC=C4)C5=CN=CC=C5
InChI
InChI=1S/C26H25N5/c1-30(2)16-7-17-31-25-21-10-4-3-8-19(21)12-13-22(25)24(20-9-5-14-27-18-20)29-23-11-6-15-28-26(23)31/h3-6,8-15,18H,7,16-17H2,1-2H3
InChIKey
OIEWVZYUPLGFTB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(10-pyridin-3-yl-2,4,9-triazatetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3(8),4,6,9,12,14,16,18-nonaen-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.211 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21828 204.5
[M+Na]+ 430.20022 220.3
[M+NH4]+ 425.24482 212.0
[M+K]+ 446.17416 210.8
[M-H]- 406.20372 210.2
[M+Na-2H]- 428.18567 212.8
[M]+ 407.21045 208.7
[M]- 407.21155 208.7
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.