CID 3071216

Brn 6442850

Structural Information

Molecular Formula
C22H25N5O2
SMILES
CC1=CC(=CC=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N(CCOC)CCOC
InChI
InChI=1S/C22H25N5O2/c1-16-7-6-8-17(15-16)20-23-24-21-18-9-4-5-10-19(18)22(25-27(20)21)26(11-13-28-2)12-14-29-3/h4-10,15H,11-14H2,1-3H3
InChIKey
WJLNYQOGYQQBGW-UHFFFAOYSA-N
Compound name
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.20084 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20812 196.6
[M+Na]+ 414.19006 205.5
[M-H]- 390.19356 201.5
[M+NH4]+ 409.23466 206.6
[M+K]+ 430.16400 199.9
[M+H-H2O]+ 374.19810 184.3
[M+HCOO]- 436.19904 216.0
[M+CH3COO]- 450.21469 206.0
[M+Na-2H]- 412.17551 201.4
[M]+ 391.20029 204.5
[M]- 391.20139 204.5
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.