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]+ 360.239396 172.6
[M+Na]+ 382.221338 176.3
[M-H]- 358.224844 173.8
[M+NH4]+ 377.265943 176.7
[M+K]+ 398.195278 175.2
[M+H-H2O]+ 342.229380 166.6
[M+HCOO]- 404.230321 179.5
[M+CH3COO]- 418.245971 175.3
[M+Na-2H]- 380.206786 171.7
[M]+ 359.23157142 171.4
[M]- 359.23266858 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.