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 172.6
[M+Na]+ 382.22134 176.3
[M-H]- 358.22484 173.8
[M+NH4]+ 377.26594 176.7
[M+K]+ 398.19528 175.2
[M+H-H2O]+ 342.22938 166.6
[M+HCOO]- 404.23032 179.5
[M+CH3COO]- 418.24597 175.3
[M+Na-2H]- 380.20679 171.7
[M]+ 359.23157 171.4
[M]- 359.23267 171.4
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.