CID 334652

81215-80-7

Structural Information

Molecular Formula
C19H26N4O2
SMILES
C1CCN(CC1)CCN2CC(=O)N3CC4=CC=CC=C4CN3C(=O)C2
InChI
InChI=1S/C19H26N4O2/c24-18-14-21(11-10-20-8-4-1-5-9-20)15-19(25)23-13-17-7-3-2-6-16(17)12-22(18)23/h2-3,6-7H,1,4-5,8-15H2
InChIKey
YHILIFSWFBZPBA-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.20557 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21285 185.1
[M+Na]+ 365.19479 188.7
[M-H]- 341.19829 187.1
[M+NH4]+ 360.23939 193.6
[M+K]+ 381.16873 186.4
[M+H-H2O]+ 325.20283 172.5
[M+HCOO]- 387.20377 192.4
[M+CH3COO]- 401.21942 191.2
[M+Na-2H]- 363.18024 185.8
[M]+ 342.20502 175.5
[M]- 342.20612 175.5
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.