CID 3078631

2,4-quinazolinediamine, 6,7-dimethoxy-n(sup 2)-(2-(hexahydro-1(2h)-azocinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H29N5O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)NCCN3CCCCCCC3)N)OC
InChI
InChI=1S/C19H29N5O2/c1-25-16-12-14-15(13-17(16)26-2)22-19(23-18(14)20)21-8-11-24-9-6-4-3-5-7-10-24/h12-13H,3-11H2,1-2H3,(H3,20,21,22,23)
InChIKey
YXFYHQXESDISGT-UHFFFAOYSA-N
Compound name
2-N-[2-(azocan-1-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.23212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23940 167.9
[M+Na]+ 382.22134 171.3
[M+NH4]+ 377.26594 169.8
[M+K]+ 398.19528 169.9
[M-H]- 358.22484 168.9
[M+Na-2H]- 380.20679 170.1
[M]+ 359.23157 168.5
[M]- 359.23267 168.5
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.