CID 3071217

Brn 6443636

Structural Information

Molecular Formula
C22H25N5O2
SMILES
CC1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N(CCOC)CCOC
InChI
InChI=1S/C22H25N5O2/c1-16-8-10-17(11-9-16)20-23-24-21-18-6-4-5-7-19(18)22(25-27(20)21)26(12-14-28-2)13-15-29-3/h4-11H,12-15H2,1-3H3
InChIKey
GPJYEGSGDXGTSA-UHFFFAOYSA-N
Compound name
N,N-bis(2-methoxyethyl)-3-(4-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 195.7
[M+Na]+ 414.19006 211.3
[M+NH4]+ 409.23466 202.4
[M+K]+ 430.16400 204.6
[M-H]- 390.19356 199.7
[M+Na-2H]- 412.17551 203.2
[M]+ 391.20029 199.1
[M]- 391.20139 199.1
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.